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1. F. Trinter, J. Hofierka, J. Rist, M. Kircher, M. Weller, N. Melzer, D. Tsitsonis, A. Geyer, J. Kruse, G. Kastirke, J. B. Williams, T. Miteva, R. Dörner, M. S. Schöffler, M. Kunitski, N. Sisourat, L. S. Cederbaum and T. Jahnke
   J. Am. Chem. Soc. 148 (2026), 4126
   Tracking the Complex Dynamics of Electron−Transfer−Mediated Decay in Real Space and Time

2. S. Mahapatra and H. Köppel
   Resonance Journal of Science Education 31 (2026), 491
   Edward Teller – The Man and the Scientist

3. H. Köppel and B. Nikoobakht
   Phys. Chem. Chem. Phys. 28 (2026), 9124
   Intramolecular quantum dynamics on intersecting potential energy surfaces: a tutorial review

4. J. Hofierka and L. S. Cederbaum
   Radiat. Phys. Chem. 239 (2026), 113343
   Attosecond energy transfer: Suppressing X−ray emission and enhancing electron production

5. J. Schirmer
   J. Phys. Chem. Chem. Phys 27 (2025), 4992
   Review of the foundations of time−dependent density−functional theory (TDDFT)

6. B. Nikoobakht, M. F. S. J. Menger and H. Köppel
   Phys. Chem. Chem. Phys 27 (2025), 20433
   UV photodissociation and population dynamics of some important Criegee intermediates

7. D. M. Mootheril, A. D. Skitnevskaya, X. Ren, M. Dogan, A. B. Trofimov, A. I. Kuleff, L. S. Cederbaum, T. Pfeifer and A. Dorn
   Cummun. Chem. 8 (2025), 151
   Enhanced intermolecular coulombic decay due to sulfur heteroatoms in thiophene dimer.

8. L. Marder, C. Küstner−Wetekam, N. Kiefer, J. Viehmann, N. Golchert, E. Heikura, F. Trinter, D. Cubaynes, J. Palaudoux, F. Penent, A. Ehresmann, L. S. Cederbaum, P. Kolorenč and A. Hans
   Phys. Rev. Lett. 135 (2025), 053201
   Neutralization of Multiply Charged Ground−State Ions by Collective Electron Transfer from an Environment

9. J. Hofierka, N. Sisourat, T. Jahnke and L. S. Cederbaum
   J. Chem. Theo. Comp. 21 (2025), 12026
   Dynamics of Electron−Transfer−Mediated Decay in a Weakly Bound Trimer

10. Y. Gao, A. D. Skitnevskaya, E. Wang, H. Yuan, X. Ren, H. Lin, Z. Yan, S. Zhang, S. Gu, B. Yang, F. Fang, S. Yan, D. Guo, X. Zhu, D. Zhao, C. Shao, Z. Huang, X. Xue, X. Hao, J. Zhou, T. Zhang, J. Li, X. Yan, M. Wang, L. Mao, D. Yin, M. Tang, Y. Yuan, J. Yang, A. B. Trofimov, L. S. Cederbaum, A. I. Kuleff, X. Ma and S. Xu
    Phys. Rev. X 15 (2025), 011053
    Damaging Intermolecular Relaxation Processes Initiated by Heavy−Ion Irradiation of Hydrated Biomolecules

11. C. Fábri, G. Halász, J. Hofierka, L. S. Cederbaum and A. Vibók
    J. Chem. Theo. Comp 21 (2025), 575
    Impact of Dipole Self−Energy on Cavity−Induced Nonadiabatic Dynamics

12. A. Csehi, K. Szabó, Á. Vibók, L. S. Cederbaum and G. J. Halász
    Phys. Rev. Lett. 134 (2025), 188001
    Controlling Molecular Dynamics by Exciting Atoms in a Cavity

13. A. Chattopadhyay, M. F. S. J. Menger, D. S. Sisodiya and H. Köppel
    J. Phys. Chem. A 129 (2025), 2442
    Theoretical Study of Spectroscopy and Photodynamics of Decatetraene as a Representative Dimethylated Polyene

14. L. S. Cederbaum and J. Hofierka
    Phys. Chem. Chem. Phys. 27 (2025), 17750
    Energy transfer from dark states: a relativistic approach

15. L. S. Cederbaum and J. Hofierka
    J. Chem. Phys. 162 (2025), 124109
    Relativistic energy transfer

16. D. Bloß, N. V. Kryzhevoi, J. Maurmann, P. Schmidt, A. Knie, J. H. Viehmann, C. Küstner−Wetekam, S. Deinert, G. Hartmann, F. Trinter, L. S. Cederbaum, A. Ehresmann, A. I. Kuleff and A. Hans
    Phys. Chem. Chem. Phys. 27 (2025), 9329
    Interplay of protection and damage through intermolecular processes in the decay of electronic core holes in microsolvated organic molecules

17. D. Bloß, R. Dupuy, F. Trinter, I. Unger, N. Walsh, G. Öhrwall, N. Golchert, G. Klassen, A. Krone, Y. Terao, J. H. Viehmann, L. Wülfing, C. Richter, T. Buttersack, L. S. Cederbaum, U. Hergenhahn, O. Björneholm, A. Ehresmann and A. Hans
    J. Am. Chem. Soc. 147 (2025), 22115
    Site− and Energy−Selective Low−Energy Electron Emission by X−rays in the Aqueous Phase

18. O. E. Alon and L. S. Cederbaum
    Physics 7 (2025), 38
    Fragmentation of a Trapped Multi−Species Bosonic Mixture

19. A. U. J. Lode, O. E. Alon, A. Bhowmik, M. Büttner, L. S. Cederbaum, R. Chitra, S. Dutta, D. Jaksch, H. Kessler, C. Lévêque, R. Lin, P. Molignini, L. Papariello, M. C. Tsatsos and J. Xiang
    in: High Performance Computing in Science and Engineering '22, ed. W. E. Nagel and D. H. Kröner and M. M. Resch, Springer International Publishing, (2024)
    Correlations, Shapes, and Fragmentations of Ultracold Matter

20. S. Sasmal. M. Schröder and O. Vendrell
    J. Chem. Phys. 160 (2024), 064109
    Compact sum−of−products form of the molecular electronic Hamiltonian based on canonical polyadic decomposition

21. B. Nikoobakht and H. Köppel
    Phys. Chem. Chem. Phys. 26 (2024), 24591
    Fully quantal description of combined internal conversion and intersystem crossing processes in the smallest Criegee intermediate CH₂OO

22. J. Hofierka and L. S. Cederbaum
    Phys. Rev. A 109 (2024), 052812
    Core−hole jumping between heavy atoms enabled by retardation

23. V. D. Hannibal, M. F. S. J. Menger and H. Köppel
    J. Phys. C 2769 (2024), 012004
    Multi−state vibronic dynamics of the benzene cation: Combined multi−mode Jahn−Teller and Pseudo Jahn−Teller Effects

24. C. Fábri, G. J. Halász, L. S. Cederbaum and A. Vibók
    J. Phys. Chem. Lett. 15 (2024), 4655
    Impact of Cavity on Molecular Ionization Spectra

25. C. Fabri, A. Csaszar, G. J. Halasz, L. S. Cederbaum and A. Vibok
    J. Chem. Phys. 160 (2024), 214308
    Coupling polyatomic molecules to lossy nanocavities: Lindblad vs Schrödinger description

26. C. Fábri, A. Csehi, G. J. Halász, L. S. Cederbaum and A. Vibók
    AVS Quantum Sci. 6 (2024), 023501
    Classical and quantum light−induced non−adiabaticity in molecular systems

27. Y. Chen, I. Baldea, Y. Yu, Z. Liang, M.−D. Li, E. Koren and Z. Xie
    Langmuir 40 (2024), 4410
    CP−AFM Molecular Tunnel Junctions with Alkyl Backbones Anchored Using Alkynyl and Thiol Groups: Microscopically Different despite Phenomenological Similarity

28. L. S. Cederbaum and I. A. Kuleff
    J. Phys. Chem. Lett. 15 (2024), 7357
    Stimulated Emission of Virtual Photons: Energy Transfer by Light

29. L. S. Cederbaum and J. Fedyk
    J. Chem. Phys. 161 (2024), 074303
    Making molecules in cavity

30. L. S. Cederbaum and A. I. Kuleff
    J. Chem. Phys 160 (2024), 064306
    An ensemble of excited molecules collectively emits multiple−frequency real and virtual photons

31. D. Bloß, F. Trinter, I. Unger, C. Zindel, C. Honisch, J, Viehmann, N. Kiefer, L. Marder, C. Küstner−Wetekam, E. Heikura, L. S. Cederbaum, O. Björneholm, U. Hergenhahn, A. Ehresmann and A. Hans
    Nat. Comm. 15 (2024), 4594
    X−ray radiation damage cycle of solvated inorganic ions

32. I. Baldea
    Phys. Chem. Chem. Phys. 26 (2024), 8724
    Gaining Insight into Molecular Tunnel Junctions with a Pocket Calculator without I−V Data Fitting. Five−Thirds Protocol

33. I. Baldea
    Phys. Chem. Chem. Phys 26 (2024), 7230
    Comment on `A single level tunneling model for molecular junctions: evaluating the simulation methods' by Opodi et al.

34. I. Baldea
    Phys. Chem. Chem. Phys. 26 (2024), 6540
    Can Tunneling Yield a Current in Molecular Junctions so Strongly Temperature Dependent to Challenge a Hopping Mechanism? General Analytical Formulas that Answer This Question Positively

35. I. Baldea, Y. Chen, M. Zhang, N. Xin, Y. Feng, J. Feng, C. Jia, X. Guo and Z. Xie
    J. Phys. Chem. Lett. 15 (2024), 3267
    Breakdown of Ohm's Law in Molecular Junctions with Electrodes of Single−Layer Graphene

36. I. Baldea
    J. Phys. Chem. Lett. 15 (2024), 2916
    Dichotomy between Level Broadening and Level Coupling to Electrodes in Large Area EGaIn Molecular Junctions

37. I. Baldea
    Adv. Theory Simul. 7 (2024), 2301123
    Antioxidant Activity via Free Radical Scavenging of Pitavastatin and Its Hydroxylated Derivatives: A Quantum Chemical Attempt Aiming to Assist Drug Development

38. O. E. Alon and L. S. Cederbaum
    J. Phys. A: Math. Theor. 57 (2024), 295305
    Entanglement and correlations in an exactly−solvable model of a Bose–Einstein condensate in a cavity

39. O. E. Alon and L. S. Cederbaum
    J. Chem. Phys. 161 (2024), 184307
    Properties of a trapped multiple−species bosonic mixture at the infinite−particle−number limit: A solvable model

40. O. E. Alon and L. S. Cederbaum
    J. Phys.: Conf. Ser. 2894 (2024), 012012
    Correlation Effects in a Trapped Bose−Fermi Mixture: Exact Results

41. A. U. J. Lode, O. E. Alon, J. Arnold, A. Bhowmik, M. Büttner, L. S. Cederbaum, B. Chatterjee, R. Chitra, S. Dutta, C. Georges, A. Hemmerich, H. Keßler, J. Klinder, C. Lévêque, R. Lin, P. Molignini, F. Schäfer, J. Schmiedmayer and M. Žonda
    in: High Performance Computing in Science and Engineering '21, ed. W. E. Nagel and D. H. Kröner and M. M. Resch, Springer International Publishing, (2023)
    Quantum simulators, phase transitions, resonant tunneling, and variances: A many−body perspective

42. A. D. Skitnevskaya, K. Gokhberg, A. B. Trofimov, E. K. Grigoricheva, A. I. Kuleff and L. S. Cederbaum
    J. Phys. Chem. Lett. 14 (2023), 1418
    Two−Sided Impact of Water on the Relaxation of Inner−Valence Vacancies of Biologically Relevant Molecules

43. L. Shi, M. Schröder, H.−D. Meyer, D. Pelaez, A. M. Wodtke, K. Golibrzuch, A.−M. Schönemann, A. Kandratsenka and F. Gatti
    J. Chem. Phys. 159 (2023), 194102
    Quantum and classical molecular dynamics for H atom scattering from graphene

44. J. Schirmer
    arXiv.2311.03229 (2023),
    Non−interacting particle systems in the biorthogonal and unitary coupled−cluster description

45. J. Schirmer
    arXiv.2309.15721 (2023),
    The electron propagator for non−interacting particles: An alternative approach to quasi−degenerate perturbation theory (QDPT)

46. B. Nikoobakht and H. Köppel
    Phys. Chem. Chem. Phys. 25 (2023), 19470
    Photodissociation dynamics and UV absorption spectrum of acetone oxide (CH₃)₂COO

47. B. Nikoobakht and H. Köppel
    Chem. Phys. Lett. 833 (2023), 140943
    Conformational dependence of the UV absorption spectrum of CH3CH2CHOO following excitation to the B¹A' state

48. M. F. S. J. Menger and H. Köppel
    J. Phys. Chem. A 127 (2023), 8501
    On the Fluorescence Properties and Nonradiative Transitions in Medium−Sized All−Trans Polyenes

49. D. Mendive−Tapia, H.−D. Meyer and O. Vendrell
    J. Chem. Theory. Comput. 19 (2023), 1144
    Optimal mode combinations in the Multiconfiguration Time−Dependent Hartree method through multivariate statistics: Factor analysis and hierarchical clustering

50. S.−J. Hou, Y.−F. Yang, Z.−H. Cui and L. S. Cederbaum
    Chem. Sci. 14 (2023), 7230
    Can anions possess bound doubly−excited electronic states?

51. J. Fedyk, K. Gokhberg, T. Miteva, L. S. Cederbaum and A. I. Kuleff
    Phys. Rev. A 107 (2023), 023109
    Interference effects in the photoelectron spectrum of the NeKr dimer and vibrationally selected interatomic Coulombic decay

52. L. S. Cederbaum and J. Fedyk
    Commun. Phys. 6 (2023), 111
    Activating cavity by electrons

53. I. Baldea
    Phys. Chem. Chem. Phys. 25 (2023), 19750
    Can room temperature data for tunneling molecular junctions be analyzed within a theoretical framework assuming zero temperature?

54. O. E. Alon and L. S. Cederbaum
    J. Phys.: Conf. Ser. 2494 (2023), 012014
    Fragmentation of a trapped bosonic mixture

55. Y.−F. Yang and L. S. Cederbaum
    Front. Chem. 10 (2022), 813563
    On the Endocircular Li@C16 System

56. Y.−F. Yang and L. S. Cederbaum
    Chem. Phys. Lett. 799 (2022), 139554
    Storing and releasing Mg by C₁₂ carbon ring

57. A. B. Trofimov, A. D. Skitnevskaya, E. K. Grigoricheva, E. V. Gromov and H. Köppel
    J. Chem. Phys. 157 (2022), 174309
    Vibronic coupling in the ground and excited states of the imidazole radical cation

58. M. Schröder, F. Gatti, D. Lauvergnat, H.−D. Meyer and O. Vendrell
    Nat. Comm. 13 (2022), 6170
    The coupling of the hydrated proton to its first solvation shell

59. B. Nikoobakht, R. Hakim, M. F. S. J. Menger and H. Köppel
    Mol. Phys. 120 (2022), e2132186
    On the UV spectroscopy and photodynamics of octatetraene

60. B. Nikoobakht and H. Köppel
    Phys. Chem. Chem. Phys. 24 (2022), 12433
    Correlated quantum treatment of the photodissociation dynamics of formaldehyde oxide CH₂OO

61. N. Moiseyev, O. Vendrell, L. S. Cederbaum and M. Šindelka
    Phys. Rev. A 106 (2022), L051101
    Polariton entering a continuum: Giant diffuse polaritonic resonance

62. H. R. Larsson, M. Schröder, R. Beckmann, F. Brieuc, C. Schran, D. Marx and O. Vendrell
    Chem. Sci. 13 (2022), 11119
    State−resolved infrared spectrum of the protonated water dimer: revisiting the characteristic proton transfer doublet peak

63. M. Hodecker, A. I. Dempwolff, J. Schirmer and A. Dreuw
    J. Chem. Phys. 156 (2022), 074104
    Theoretical analysis and comparison of unitary coupled−cluster and algebraic−diagrammatic construction methods for ionization

64. S. Han, M. Schröder, F. Gatti, H.−D. Meyer, D. Lauvergnat, D. R. Yarkony and H. Guo
    J. Chem. Theory Comput. 18 (2022), 4627
    Representation of Diabatic Potential Energy Matrices for Multiconfiguration Time−Dependent Hartree Treatments of High−Dimensional Nonadiabatic Photodissociation Dynamics

65. C. Fábri, G. J. Halász, L. S. Cederbaum and Á. Vibók
    Chem. Commun. 58 (2022), 12612
    Radiative emission of polaritons controlled by light−induced geometric phase

66. L. S. Cederbaum
    J. Chem. Phys. 156 (2022), 184102
    Cooperative molecular structure in polaritonic and dark states

67. R. Cabrera−Trujillo, O. Vendrell and L. S. Cederbaum
    Phys. Rev. A 105 (2022), 053104
    Dipole−induced processes in HeH⁺ produced by an excited Li(2p) neighbor: From charge transfer to virtual photon dissociation, and formation of LiH and LiHe

68. I. Bâldea
    Molecules 27 (2022), 8092
    Two Theorems and Important Insight on How the Preferred Mechanism of Free Radical Scavenging Cannot Be Settled. Comment on Pandithavidana, D.R.; Jayawardana, S.B. Comparative Study of Antioxidant Potential of Selected Dietary Vitamins; Computational Insights. Molecules 2019, 24, 1646

69. I Bâldea
    Chinese Phys. B 31 (2022), 123101
    Chemical bonding in representative astrophysically relevant neutral, cation, and anion HC_nH chains

70. I. Baldea
    Molecules 27 (2022), 5036
    Why Ortho− and Para−Hydroxy Metabolites Can Scavenge Free Radicals That the Parent Atorvastatin Cannot? Important Pharmacologic Insight from Quantum Chemistry

71. I. Baldea
    Molecules 27 (2022), 3100
    HC_nH⁻ Anion Chains with n 8 are Nonlinear and Their Permanent Dipole Makes Them Potential Candidates for Astronomical Observation

72. I. Baldea
    Adv. Theory Simul. 5 (2022), 2200244
    Comprehensive Quantum Chemical Characterization of the Astrochemically Relevant HCnH Chain Family: An Attempt to Aid Astronomical Observations

73. I. Baldea
    Adv. Theory Simul. 5 (2022), 2200158
    Exact Analytic Formula for Conductance Predicting a Tunable Sommerfeld–Arrhenius Thermal Transition within a Single−Step Tunneling Mechanism in Molecular Junctions Subject to Mechanical Stretching

74. I. Baldea
    Adv. Theory Simul. 5 (2022), 2200077
    Are Asymmetric SAM−Induced Work Function Modifications Relevant for Real Molecular Rectifiers?

75. I. Baldea
    Int. J. Mol. Sci. 23 (2022), 14985
    Estimating the Number of Molecules in Molecular Junctions Merely Based on the Low Bias Tunneling Conductance at Variable Temperature

76. I. Baldea
    Comp. Theor. Chem 1217 (2022), 113898
    Critical analysis of radical scavenging properties of atorvastatin in methanol recently estimated via density functional theory

77. O. E. Alon and L. S. Cederbaum
    J. Phys.: Conf. Ser. 2249 (2022), 012011
    Effects beyond center−of−mass separability in a trapped bosonic mixture: Exact results

78. A. U. J. Lode, O. E. Alon, M. A. Bastarrachea−Magnani, A. Bhowmik, A. Buchleitner, L. S. Cederbaum, R. Chitra, E. Fasshauer, L. de Forges de Parny, S. K. Haldar, C. Lévêque, R. Lin, L. B. Madsen, P. Molignini, L. Papariello, F. Schäfer, A. I. Streltsov, M. C. Tsatsos and S. E. Weiner
    in: High Performance Computing in Science and Engineering '20, ed. W. E. Nagel and D. H. Kröner and M. M. Resch, Springer International Publishing, (2021)
    MCTDH−X: The Multiconfigurational Time−Dependent Hartree Method for Indistinguishable Particles High−Performance Computation Project

79. Y.−F. Yang and L. S. Cederbaum
    Angew. Chem. Int. Ed. 60 (2021), 16649
    Endocircular Li Carbon Rings

80. Y.−F. Yang and L. S. Cederbaum
    Phys. Chem. Chem. Phys. 23 (2021), 11837
    Caged−electron states and split−electron states in the endohedral alkali C₆₀

81. Z. Xie, I. Baldea, Q. Nguyen and C. D. Frisbie
    Nanoscale 13 (2021), 16755
    Quantitative Analysis of Weak Current Rectification in Molecular Tunnel Junctions Subject to Mechanical Deformation Reveals Two Different Rectification Mechanisms for Oligophenylene Thiols versus Alkane Thiols

82. H. Wang and H.−D. Meyer
    J. Phys. Chem. A 125 (2021), 3077
    Importance of Appropriately Regularizing the ML−MCTDH Equations of Motion

83. B. Nikoobakht and H. Köppel
    Mol. Phys. 119 (2021), e1958019
    UV absorption spectrum and photodissociation dynamics of CH2OO following excitation to the B1A' state

84. N. Ng, S. Wenderoth, R. Reddy Seelam, E. Rabani, H.−D. Meyer, M. Thoss and M. Kolodrubetz
    Phys. Rev. B 103 (2021), 134201
    Localization dynamics in a centrally coupled system

85. A. Molle, A. Dubois, J. Gorfinkiel, L. S. Cederbaum and N. Sisourat
    Phys. Rev. A 104 (2021), 022828
    Electron attachment to a proton in water by interatomic Coulombic electron capture: An R−matrix study

86. A. Molle, A. Dubois, J. D. Gorfinkiel, L. S. Cederbaum and N. Sisourat
    Phys. Rev. A 103 (2021), 012808
    Fano interferences in environment−enabled electron capture

87. Q. Meng, M. Schröder and H.−D. Meyer
    J. Chem. Theory Comput. 17 (2021), 2702
    High−Dimensional Quantum Dynamics Study on Excitation−Specific Surface Scattering Including Lattice Effects of a Five−Atom Surface Cell

88. S. Mainali, F. Gatti, D. Iouchtchenko, P.−N. Roy and H.−D. Meyer
    J. Chem. Phys. 154 (2021), 174106
    Comparison of the multi−layer multi−configuration time−dependent Hartree (ML−MCTDH) method and the density matrix renormalization group (DMRG) for ground state properties of linear rotor chains

89. A.U. Lode, O.E. Alon, L.S. Cederbaum, B. Chakrabarti, B. Chatterjee, R. Chitra, A. Gammal, S.K. Haldar, M.L. Lekala, C. Lévêque, R. Lin, P. Molignini, L. Papariello, and M.C. Tsatsos
    in: High Performance Computing in Science and Engineering '19, ed. W. E. Nagel and D. H. Kröner and M. M. Resch, Springer International Publishing, (2021)
    Crystallization, Fermionization, and Cavity−Induced Phase Transitions of Bose−Einstein Condensates

90. A. Hans, P. Schmidt, C. Küstner−Wetekam, F. Trinter, S. Deinert, D. Bloß, J. H. Viehmann, R. Schaf, M. Gerstel, C. M. Saak, J. Buck, S. Klumpp, G. Hartmann, L. S. Cederbaum, N. V. Kryzhevoi and A. Knie
    J. Phys. Chem. Lett. 12 (2021), 7146
    Suppression of X‑ray−Induced Radiation Damage to Biomolecules in Aqueous Environments by Immediate Intermolecular Decay of Inner−Shell Vacancies

91. K. Gokhberg, A. I. Kuleff and L.S. Cederbaum
    in: Molecular Spectroscopy and Quantum Dynamics, ed. R. Marquardt and M. Quack, Elsevier, (2021)
    Electronic decay cascades in chemical environment

92. A. Ghosh, L. S. Cederbaum and K. Gokhberg
    Chem. Sci. 12 (2021), 9379
    Signature of the neighbor's quantum nuclear dynamics in the electron transfer mediated decay spectra

93. J. Fedyk, K. Gokhberg and L. S. Cederbaum
    Phys. Rev. A 103 (2021), 022816
    Theory of double ionization of a neighboring molecule by interatomic Coulombic decay

94. C. Fábri, G. J. Halász, L. S. Cederbaum and A. Vibók
    Chem. Sci., 12 (2021), 1251
    Born−Oppenheimer approximation in optical cavities: from success to breakdown

95. C. Fábri, G. J. Halász, L. S. Cederbaum and A. Vibók
    J. Chem. Phys. 154 (2021), 124308
    Signatures of light−induced nonadiabaticity in the field−dressed vibronic spectrum of formaldehyde

96. L. S. Cederbaum
    J. Chem. Phys. Lett. 12 (2021), 6056
    Polaritonic States of Matter in a Rotating Cavity

97. L. S. Cederbaum and A. I. Kuleff
    Nat. Commun. 12 (2021), 4083
    Impact of cavity on interatomic Coulombic decay

98. R. Cabrera−Trujillo
    Phys. Rev. A 103 (2021), 032812
    Analytical expression for the electronic stopping cross section of atomic gas targets for hydrogen projectiles

99. I. Baldea
    Adv. Theory Simul. 4 (2021), 2000225
    What Can We Learn from the Time Evolution of COVID−19 Epidemic in Slovenia?

100. I. Baldea
     Phys. Rev. B, 103 (2021), 195408
     Why asymmetric molecular coupling to electrodes cannot be at work in real molecular rectifiers

101. I. Baldea
     Appl. Surf. Sci. Adv. 5 (2021), 100094
     Self−assembled monolayers of oligophenylenes stiffer than steel and silicon, possibly even stiffer than Si3N4

102. Y.−F. Yang and L. S. Cederbaum
     J. Chem. Phys. 152 (2020), 244307
     Bound states and symmetry breaking of the ring C₂₀^– anion

103. A. B. Trofimov, A. D. Skitnevskaya, E. K. Grigoricheva, E. V. Gromov and H. Köppel
     J. Chem. Phys. 153 (2020), 164307
     Vibronic coupling in the ground and excited states of the pyridine radical cation

104. M. Schröder
     J. Chem. Phys. 152 (2020), 024108
     Transforming high−dimensional potential energy surfaces into a canonical polyadic decomposition using Monte Carlo methods

105. D. Mendive−Tapia and H.−D. Meyer
     J. Chem. Phys. 153 (2020), 234114
     Regularizing the MCTDH equations of motion through an optimal choice on−the−fly (i.e. spawning) of unoccupied single−particle functions

106. A. Landau, A. Ben−Asher, K. Gokhberg, L. S. Cederbaum and N. Moiseyev
     J. Chem. Phys. 152 (2020), 184303
     Ab initio complex potential energy curves of the He* (1s2p 1P)−Li dimer

107. D. Koulentianos, A. E. A. Fouda, S. H. Southworth, J. D. Bozek, J. Küpper, R. Santra, N. V. Kryzhevoi, L. S. Cederbaum, C. Bostedt, M. Messerschmidt, N. Berrah, L. Fang, B. Murphy, T. Osipov, J. P. Cryan, J. Glownia, S. Ghimire, P. J. Ho, B. Krässig, D. Ray, Y. Li, E. P. Kanter, L. Young and G. Doumy
     J. Phys. B 53 (2020), 244005
     High intensity x−ray interaction with a model bio−molecule system: double−core−hole states and fragmentation of formamide

108. T. Jahnke, U. Hergenhahn, B. Winter, R. Dörner, U. Frühling, P. V. Demekhin, K. Gokhberg, L. S. Cederbaum, A. Ehresmann, A. Knie and A. Dreuw
     Chem. Rev. 120 (2020), 11295
     Interatomic and Intermolecular Coulombic Decay

109. G. Jabbari, K. Gokhberg and L. S. Cederbaum
     Chem. Phys. Lett. 754 (2020), 137571
     Competition between interatomic Coulombic decay and autoionization of doubly−excited atoms

110. A. Hans, C. Küstner−Wetekam, P. Schmidt, C. Ozga, X. Holzapfel, H. Otto, C. Zindel, C. Richter, L. S. Cederbaum, A. Ehresmann, U. Hergenhahn, N. V. Kryzhevoi and A. Knie
     Phys. Rev. Research 2 (2020), 012022
     Core−level interatomic Coulombic decay in van der Waals clusters

111. S. Goswami, Aiswarya M. P. and H. Köppel
     Mol. Phys. 118 (2020), e1762011
     A quantum dynamical investigation of the excitation transfer in two doubly hydrogen−bonded molecular dimers

112. C. Fábri, B. Lasorne, G. J. Hálasz, L. S. Cederbaum and A. Vibók
     J. Chem. Phys. 153 (2020), 234302
     Quantum light−induced nonadiabatic phenomena in the absorption spectrum of formaldehyde: Full− and reduceddimensionality studies

113. C. Fábri, B. Lasorne, G. Haláz, L. S. Cederbaum and A. Vibók
     J. Phys. Chem. Lett. 11 (2020), 5324
     Striking Generic Impact of Light−Induced Non−Adiabaticity in Polyatomic Molecules

114. L. S. Cederbaum
     J. Phys. Chem. Lett. 11 (2020), 8964
     Fragmentation of Molecules by Virtual Photons from Remote Neighbors

115. R. Cabrera−Trujillo, O. Vendrell and L. S. Cederbaum
     Phys. Rev. A 102 (2020), 032820
     Interatomic Coulombic decay of a Li dimer in a coupled electron and nuclear dynamics approach

116. D. Bossion, S. Ndengue, H.−D. Meyer, F. Gatti and Y. Scrbano
     J. Chem. Phys. 153 (2020), 081102
     Theoretical investigation of the H + H chemical reaction for astrophysical applications: A state−to−state quasi−classical study

117. A. Ben−Asher, A. Landau, L. S. Cederbaum and N. Moiseyev
     J. Phys. Chem. Lett. 11 (2020), 6600
     Quantum Effects Dominating the Interatomic Coulombic Decay of an Extreme System

118. I. Baldea
     ACS Earth Space Chem. 4 (2020), 434
     Extensive Quantum Chemistry Study of Neutral and Charged C₄N Chains

119. I. Baldea
     Mon. Not. R. Astron. Soc. 498 (2020), 4316
     Profiling Astrophysically Relevant MgC₄H Chain. An Attempt to Aid Astronomical Observations

120. I. Baldea
     Mon. Not. R. Astron. Soc. 493 (2020), 2506
     Profiling C₄N Radicals of Astrophysical Interest

121. I. Baldea
     Adv. Theory Simul. 3 (2020), 2000132
     Suppression of Groups Intermingling as Appealing Option For Flattening and Delaying the Epidemiologic Curve While Allowing Economic and Social Life at Bearable Level During COVID−19 Pandemic

122. I. Baldea
     Langmuir 36 (2020), 1329
     Evidence That Molecules in Molecular Junctions May Not Be Subject to the Entire External Perturbation Applied to Electrodes

123. O.E. Alon, V.S. Bagnato, R. Beinke, S .Basu, L.S. Cederbaum, B. Chakrabarti, B Chatterjee, R. Chitra, F.S. Diorico, S. Dutta, L. Exl, A. Gammal, S.K. Haldar, S. Klaiman, C. Lévêque, R. Lin, N.J. Mauser, P. Molignini, L. Papariello, R. Roy, K. Sakmann, A.I. Streltsov, G.D. Telles, M.C. Tsatsos, R. Wu and A.U.J. Lode
     in: High Performance Computing in Science and Engineering '18, ed. W. E. Nagel and D. H. Kröner and M. M. Resch, Springer International Publishing, (2019)
     Exploring many−body physics with Bose−Einstein condensates

124. D. You, Y. Li, T. Ono, T. Gaumnitz, M. Schöffler, S. Grundmann, S.−I. Wada, P Carpeggiani, W. Q. Xu, X. J. Liu, S. Owada, K. Tono, T. Togashi, M Yabashi, N. V. Kryzhevoi, K. Gokhberg, A. I. Kuleff, L. S. Cederbaum, K. Ueda and K. Nagaya
     J. Chem. Phys., 151 (2019), 184305
     Electron spectroscopic study of nanoplasma formation triggered by intense soft x−ray pulses

125. Y.−F. Yang, E. V. Gromov and L. S. Cederbaum
     J. Phys. Chem. Lett., 10 (2019), 7617
     Caged−electron states in endohedral Li fullerenes

126. Y.−F. Yang, E. V. Gromov and L. S. Cederbaum
     J. Chem. Phys., 151 (2019), 114306
     Charge separated states of endohedral fullerene Li@C₂₀

127. Z. Xie, I. Baldea, G. Haugstad and C. D. Frisbie
     J. Am. Chem. Soc. 141 (2019), 497
     Mechanical Deformation Distinguishes Tunneling Pathways in Molecular Junctions

128. Z. Xie, I. Baldea and C. D. Frisbie
     J. Am. Chem. Soc. 141 (2019), 3670
     Determination of Energy Level Alignment in Molecular Tunnel Junctions by Transport and Spectroscopy: Self−Consistency for the Case of Oligophenylene Thiols and Dithiols on Ag, Au, and Pt Electrodes

129. Z. Xie, I. Baldea and C. D. Frisbie
     J. Am. Chem. Soc. 141 (2019), 18182
     Energy Level Alignment in Molecular Tunnel Junctions by Transport and Spectroscopy: Self−Consistency for the Case of Alkyl Thiols and Dithiols on Ag, Au, and Pt Electrodes

130. G. Schmid, K. Schnorr, S. Augustin, S. Meister, H. Lindenblatt, F. Trost, Y. Liu, T. Miteva, M. Gisselbrecht, S. Düsterer, H. Redlin, R. Treusch, K. Gokhberg, A. I. Kuleff, L. S. Cederbaum, C. D. Schröter, T. Pfeifer and R. Moshammer
     J. Chem. Phys., 151 (2019), 084314
     Tracing charge transfer in argon dimers by XUV−pump IR−probe experiments at FLASH

131. S. Scheit, S. Goswami, H.−D. Meyer and H. Köppel
     Comp. Theor. Chem. 1150 (2019), 71
     Fully quantal treatment of nonadiabatic molecular photodynamics: General considerations and application to the benzene cation

132. B. Nikoobakht, A. Dreuw and H. Köppel
     J. Chem. Phys. 151 (2019), 104105
     Excited state dynamics of the s−trans−1,3−butadiene cation: An ab initio quantum dynamical analysis

133. F. Köhler, K. Keiler, S. I. Mistakidis, H.−D. Meyer and P. Schmelcher
     J. Chem. Phys. 151 (2019), 054108
     Dynamical pruning of the non−equilibrium quantum dynamics of trapped ultracold bosons

134. S. Goswami, S. Kopec and H. Köppel
     J. Phys. Chem. A 123 (2019), 5491
     Vibronic Coupling and Excitation Transfer in Hydrogen−Bonded Molecular Dimers: A Quantum Dynamical Analysis

135. A. Ghosh, L. S. Cederbaum and K. Gokhberg
     J. Chem. Phys., 150 (2019), 164309
     Electron transfer mediated decay in HeLi2 cluster: Potential energy surfaces and decay widths

136. H. Fukuzawa, T. Takanashi, E. Kukk, K. Motomura, S.−i. Wada, K. Nagaya, Y. Ito, T. Nishiyama, C. Nicolas, Y. Kumagai, D. Iablonskyi, S. Mondal, T. Tachibana, D. You, S. Yamada, Y. Sakakibara, K. Asa, Y. Sato, T. Sakai, K. Matsunami, T. Umemoto, K. Kariyazono, S. Kajimoto, H. Sotome, P. Johnsson, M. S. Schöffler, G. Kastirke, K. Kooser, X.−J. Liu, T. Asavei, L. Neagu, S. Molodtsov, K. Ochiai, M. Kanno, K. Yamazaki, S. Owada, K. Ogawa, T. Katayama, T. Togashi, K. Tono, M. Yabashi, A. Ghosh, K. Gokhberg, L. S. Cederbaum, A. I. Kuleff, H. Fukumura, N. Kishimoto, A. Rudenko, C. Miron, H. Kono and K. Ueda
     Nature Communications 10 (2019), 2186
     Real−time observation of X−ray−induced intramolecular and interatomic electronic decay in CH₂I₂

137. L. S. Cederbaum
     Mol. Phys., 117 (2019), 1950
     Efficient non−resonant intermolecular vibrational energy transfer

138. I. Baldea
     ACS Earth Space Chem. 9 (2019), 863
     Long Carbon−Based Chains of Interstellar Medium Can Have a Triplet Ground State. Why Is This Important for Astrochemistry?

139. I. Baldea
     Appl. Surf. Sci. 487 (2019), 593
     Impact of molecular conformation on transport and transport−related properties at the nanoscale

140. I. Baldea
     Appl. Surf. Sci. 474 (2019), 256
     Specific issues related to the law of corresponding states for the charge transport in molecular junctions based on graphene electrodes

141. I. Baldea
     Adv. Theor. Simul. 2 (2019), 1900084
     Alternation of Singlet and Triplet States in Carbon−Based Chain Molecules and Its Astrochemical Implications: Results of an Extensive Theoretical Study

142. I. Baldea
     Appl. Surf. Sci. 472 (2019), 16
     A Novel Route to Get Functionality in Nanoelectronics: Controlling the Charge Transport by the Subtle Impact of the Coverage of Self−Assembled Monolayers on the Conformation of Floppy Molecules Adsorbed on Metallic Electrodes

143. M. Schröder and H.−D. Meyer
     in: High Performance Computing in Science and Engineering '17, ed. W. E. Nagel and D. H. Kröner and M. M. Resch, Springer International Publishing, (2018)
     Calculation of global, high−dimensional Potential Energy Surface fits in sum−of−products form using Monte−Carlo Methods

144. A. Csehi, G.J. Halasz, L.S. Cederbaum and A. Vibok
     in: Attosecond Molecular Dynamics, ed. M.J.J. Vrakking and F. Lepine, The Royal Society of Chemistry, (2018)
     Light−induced conical intersections

145. O.E. Alon, R. Beinke, C. Bruder, L.S. Cederbaum, S. Klaiman, A.U.J. Lode, K. Sakmann, M. Theisen, M.C. Tsatsos, S.E. Weiner and A.I. Streltsov
     in: High Performance Computing in Science and Engineering '17, ed. W. E. Nagel and D. H. Kröner and M. M. Resch, Springer International Publishing, (2018)
     Many−body effects in fragmented, depleted, and condensed bosonic systems in traps and optical cavities by MCTDHB and MCTDH−X

146. Y.−F. Yang, S. Klaiman, E. V. Gromov and L. S. Cederbaum
     Phys. Chem. Chem. Phys. 20 (2018), 17434
     Bound electronic states of the smallest fullerene C20− anion

147. S. Xu, D. Guo, X. Ma, X. Zhu, W. Feng, S. Yan, D. Zhao, Y. Gao, S. Zhang, X. Ren, Y. Zhao, Z. Xu, A. Dorn, L. S. Cederbaum and N. V. Kryzhevoi
     Angew. Chem. 57 (2018), 17023
     Damaging intermolecular energy and proton transfer processes in alpha−particle−irradiated hydrogen−bonded systems

148. Z. Xie, I. Baldea and C. D. Frisbie
     Chem. Sci. 9 (2018), 4456
     Why one can expect large rectification in molecular junctions based on alkane monothiols and why rectification is so modest

149. H. Wang and H.−D. Meyer
     J. Chem. Phys. 149 (2018), 044119
     On regularizing the ML−MCTDH equations of motion

150. A. B. Trofimov, I. Powis, R. C. Menzies, D. M. P. Holland, E. Antonsson, M. Patanen, C. Nicolas, C. Miron, A. D. Skitnevskaya, E. V. Gromov and H. Köppel
     J. Chem. Phys. 149 (2018), 074306
     An experimental and theoretical study of the photoelectron spectra of cis−dichloroethene: Valence shell vertical ionization and vibronic coupling in the low−lying cationic states

151. T. Szidarovszky, G. J. Halász, A. G. Császár, L. S. Cederbaum and A. Vibók
     J. Phys. Chem. Lett., 9 (2018), 6215
     Conical intersections induced by quantum light: field−dressed spectra from the weak to the ultrastrong coupling regimes

152. T. Szidarovszky, G. J. Halász, A. G. Császár, L. S. Cederbaum and A. Vibók
     J. Phys. Chem. Lett. 9 (2018), 2739
     Direct signatures of light−induced conical intersections on the field−dressed spectrum of Na₂

153. C. E. Smith, Z. Xie, I. Baldea and C. D. Frisbie
     Nanoscale 10 (2018), 964
     Work Function and Temperature Dependence of Electron Tunneling through an N−Type Perylene Diimide Molecular Junction with Isocyanide Surface Linkers

154. N. Sisourat, T. Miteva, J. D. Gorfinkiel, K. Gokhberg and L. S. Cederbaum
     Phys. Rev. A 98 (2018), 020701
     Interatomic Coulombic electron capture from first principles

155. J. Schirmer
     Many−Body Methods for Atoms, Molecules and Clusters,
     Springer, Heidelberg (2018)
     

156. M. Pernpointner, L. Visscher and A. B. Trofimov
     J. Chem. Theory Comput. 14 (2018), 1510
     Four−component Polarization Propagator Calculations of Electron Excitations: Spectroscopic Implications of Spin−Orbit Coupling Effects

157. R. Obaid, C. Buth, G. L. Dakovski, R. Beerwerth, M. Holmes, J. Aldrich, M.−F. Lin, M. Minitti, T. Osipov, W. Schlotter, L. S. Cederbaum, S. Fritzsche and N. Berrah
     J. Phys. B 51 (2018), 034003
     LCLS in−photon out: fluorescence measurement of neon using soft x−rays

158. B. Nikoobakht, A. Dreuw, H and Köppel
     Chem. Phys. 515 (2018), 654
     An ab initio quantum dynamical analysis of the vibronic structure of the X²B_g photoelectron spectral band of s−trans−1, 3−butadiene

159. A. D. Müller, E. Kutscher, A. N. Artemyev, L. S. Cederbaum and P. V. Demekhin
     Chem. Phys. 509 (2018), 145
     Dynamic interference in the resonance−enhanced multiphoton ionization of hydrogen atoms by short and intense laser pulses

160. T. Miteva, N. V. Kryzhevoi, N. Sisourat, C. Nicolas, W. Pokapanich, T. Saisopa, P. Songsiriritthigul, Y. Rattanachai, A. Dreuw, J. Wenzel, J. Palaudoux, G. Öhrwall, R. Püttner, L. S. Cederbaum, J.−P. Rueff and D. Céolin
     J. Phys. Chem. Lett. 9 (2018), 4457
     The all−seeing eye of resonant Auger electron spectroscopy: A study on aqueous solution using tender X−rays

161. H.−D. Meyer and H. Wang
     J. Chem. Phys 148 (2018), 124105
     On regularizing the MCTDH equations of motion

162. D. Mendive−Tapia, E. Mangaud, T. Firmino, A. de la Lande, M. Desouter−Lecomte, H−D Meyer and F. Gatti
     J. Phys. Chem. B 122 (2018), 126
     Multidimensional Quantum Mechanical Modeling of Electron Transfer and Electronic Coherence in Plant Cryptochromes: The Role of Initial Bath Conditions

163. Y. Kumagai, H. Fukuzawa, K. Motomura, D. Iablonskyi, K Nagaya, S. Wada, Y. Ito, T. Takanashi, Y. Sakakibara, D. You, T. Nishiyama, K. Asa, Y. Sato, T. Umemoto, K. Kariyazono, E. Kukk, K. Kooser, C. Nicolas, C. Miron, T. Asavei, L. Neagu, M. S. Schöffler, G. Kastirke, X. Liu, S. Owada, T. Katayama, T. Togashi, K. Tono, M. Yabashi, N. V. Golubev, K. Gokhberg, L. S. Cederbaum, A. I. Kuleff and K. Ueda
     Phys. Rev. X 8 (2018), 031034
     Following the birth of a nanoplasma produced by an ultrashort hard−X−ray laser in Xenon clusters

164. S. Klaiman, R. Beinke, L. S. Cederbaum, A. I. Streltsov and O. E. Alon
     Chem. Phys. 509 (2018), 45
     Variance of an anisotropic Bose−Einstein condensate

165. V. Hizhnyakov, K. Pae, V. Boltrushko and H. Köppel
     J. Phys.: Conf. Ser. 1148 (2018), 012002
     Vibronic states in conical intersections: manifestations of centrifugal energy and non−adiabaticity in optical spectra of Jahn−Teller systems

166. D. Davis, K. G. Bhushan, Y. Sajeev and L. S. Cederbaum
     J. Phys. Chem. Lett. 9 (2018), 6973
     A concerted synchronous [2 + 2] cycloreversion repair catalyzed by two electrons

167. A. Chattopadhyay, P. Saini. R. Hakim, A. Komainda and H. Köppel
     Chem. Phys. 509 (2018), 98
     A computational investigation on the photo−isomerization of 2,4,6−octatriene and its UV–visible spectrum

168. L. S. Cederbaum
     Phys. Rev. Lett., 121 (2018), 223001
     Ultrafast intermolecular energy transfer from vibrations to electronic motion

169. C. Buth, R. Beerwerth, R. Obaid, N. Berrah, L. S. Cederbaum and S. Fritzsche
     J. Phys. B 51 (2018), 055602
     Neon in ultrashort and intense x−rays from free electron lasers

170. M. Berman and L. S. Cederbaum
     Physica A 505 (2018), 744
     Fractional driven−damped oscillator and its general closed form exact solution

171. R. Beinke, L. S. Cederbaum and O. E. Alon
     Phys. Rev. A 98 (2018), 053634
     Enhanced many−body effects in the excitation spectrum of a weakly interacting rotating Bose−Einstein condensate

172. I. Baldea
     Phys. Chem. Chem. Phys. 20 (2018), 23492
     A sui generis electrode−driven spatial confinement effect responsible for strong twisting enhancement of floppy molecules in closely packed self−assembled monolayers

173. P. Badanko, G. J. Halász, A. G. Császár, L. S. Cederbaum, A. Vibók and A. Csehi
     J. Chem. Phys., 149 (2018), 181101
     Communication: Substantial impact of the orientation of transition dipole moments on the dynamics of diatomics in laser fields

174. O.E. Alon and L.S. Cederbaum
     Chem. Phys. 515 (2018), 287
     Attractive Bose−Einstein condensates in anharmonic traps: Accurate numerical treatment and the intriguing physics of the variance

175. F. Gatti, B. Lasorne, H.−D. Meyer and A. Nauts
     Applications of Quantum Dynamics in Chemistry,
     in: Lectures Notes in Chemistry 98, Springer, Heidelberg (2017)
     

176. O.I. Alon, R. Beinke, L.S. Cederbaum, M.J. Edmonds, E. Fasshauer, M.A. Kasevich, S. Klaiman, A.U.J. Lode, N.G. Parker, K. Sakmann, M.C. Tsatsos and A.I. Streltsov
     in: High Performance Computing in Science and Engineering '16, ed. W. E. Nagel and D. H. Kröner and M. M. Resch, Springer International Publishing, (2017)
     Vorticity, variance, and the vigor of many−body phenomena in ultracold quantum systems: MCTDHB and MCTDH−X

177. D. You, H. Fukuzawa, Y. Sakakibara, T. Takanashi, Y. Ito, G. G. Maliyar, K. Motomura, K. Nagaya, T. Nishiyama, K. Asa, Y. Sato, N. Saito, M. Oura, M. Schöffler, G. Kastirke, U. Hergenhahn, V. Stumpf, K. Gokhberg, A. I. Kuleff, L. S. Cederbaum and K. Ueda
     Nature Communications, 8 (2017), 14277
     Charge transfer to ground−state ions produces free electrons

178. Z. Xie, I. Baldea, A. T. Demissie, C. E. Smith, Y. Wu, G. Haugstad and C. D. Frisbie
     J. Am. Chem. Soc. 139 (2017), 5696
     Exceptionally Small Statistical Variations in the Transport Properties of Metal−Molecule−Metal Junctions Composed of 80 Oligophenylene Dithiol Molecules

179. Z. Xie, I. Baldea, S. Oram, C. E. Smith and C. D. Frisbie
     ACS Nano 11 (2017), 569
     Effect of Heteroatom Substitution on Transport in Alkane Dithiol Based Molecular Tunnel Junctions: Evidence for Universal Behavior

180. S. E. Weiner, M. C. Tsatsos, L. S. Cederbaum and A. U. J. Lode
     Scientific Report 7 (2017), 40122
     Phantom vortices: hidden angular momentum in ultracold dilute Bose−Einstein condensates

181. I. Unger, R. Seidel, S. Thürmer, M. N. Pohl, E. F. Aziz, L. S. Cederbaum, E. Muchová, P. Slavíček, B. Winter and N. V. Kryzhevoi
     Nature Chemistry 9 (2017), 708
     Observation of electron−transfer−mediated decay in aqueous solution

182. A. B. Trofimov, D. M. P. Holland, I. Powis, R. O. Menzies, A. W. Potts, L. Karlsson, E. V. Gromov, I. L. Badsyuk and J. Schirmer
     J. Chem. Phys. 146 (2017), 244307
     Ionization of pyridine: Interplay of orbital relaxation and electron correlation

183. V. A. Tran and M. Pernpointner
     Chem. Phys. (in press) (2017),
     A quantum dynamical study of the photoelectron spectra and the Renner−Teller effect in BrCN and ClCN based on four−component potential energy hypersurfaces

184. T. Takanashi, N. V. Golubev, H. Fukuzawa, K. Motomura, D. Iablonskyi, Y. Kumagai, S. Mondal, T. Tachibana, K. Nagaya, T. Nishiyama, K. Matsunami, P. Johnsson, P. Piseri, G. Sansone, A. Dubrouil, M. Reduzzi, P. Carpeggiani, C. Vozzi, M. Devetta, M. Negro, D. Faccialà, F. Calegari, A. Trabattoni, M. C. Castrovilli, Y. Ovcharenko, M. Mudrich, F. Stienkemeier, M. Coreno, M. Alagia, B. Schütte, N. Berrah, C. Callegari, O. Plekan, P. Finetti, C. Spezzani, E. Ferrari, E. Allaria, G. Penco, C. Serpico, G. De Ninno, B. Diviacco, S. Di Mitri, L. Giannessi, G. Jabbari, K. C. Prince, L. S. Cederbaum, Ph. V. Demekhin, A. I. Kuleff and K. Ueda
     Phys. Rev. Lett. 118 (2017), 033202
     Time−resolved observation of interatomic Coulombic decay induced by two−photon double excitation of Ne₂

185. M. Schröder and H.−D. Meyer
     J. Chem. Phys 147 (2017), 064105
     Transforming high−dimensional potential energy surfaces into sum−of−products form using Monte Carlo methods

186. R. Sarkar, S. R. Reddy, S. Mahapatra and H. Köppel
     Chem. Phys. 482 (2017), 39
     On the Jahn–Teller effect in the X²E electronic ground state of CH₃F⁺

187. R. Santra and J. Schirmer
     Chem. Phys. 482 (2017), 355
     Finite−temperature second−order many−body perturbation theory

188. X. Ren, T. Miteva, P. Kolorenč, K. Gokhberg, A. I. Kuleff, L. S. Cederbaum and A. Dorn
     Phys. Rev. A 96 (2017), 032715
     Observation of fast and slow interatomic Coulombic decay in argon dimers induced by electron−impact ionization

189. D. Pelaez and H.−D. Meyer
     Chem. Phys. 482 (2017), 100
     On the infrared absorption spectrum of the hydrated hydroxide (H₃O₂⁻) cluster anion

190. B. Nikoobakht, M. Siebert and M. Pernpointner
     Chem. Phys. 482 (2017), 339
     A four−component Fock−space coupled cluster investigation of the XMn(CO)5, (X = Cl, Br and I) photoelectron spectra

191. S. Ndengue, R. Dawes, F. Gatti and H.−D. Meyer
     Chem. Phys. Lett. 668 (2017), 42
     Atom−Triatom Rigid Rotor Inelastic Scattering with the MultiConfiguration Time Dependent Hartree approach

192. T. Mizuno, P. Cörlin, T. Miteva, K. Gokhberg, A. I. Kuleff, L. S. Cederbaum, T. Pfeifer, A. Fischer and R. Moshammer
     J. Chem. Phys. 146 (2017), 104305
     Time−resolved observation of interatomic excitation−energy transfer in argon dimers

193. Q. Meng and H.−D. Meyer
     J. Chem. Phys. 146 (2017), 184305
     Lattice effects of surface cell: Multilayer multiconfiguration time−dependent Hartree study on surface scattering of CO/Cu(100)

194. D. Mendive−Tapia, T. Firmino, H.−D. Meyer and F. Gatti
     Chem. Phys. 482 (2017), 113
     Towards a systematic convergence of Multi−Layer (ML) multi−configuration time−dependent Hartree nuclear wavefunctions: the ML−spawning algorithm

195. I. Lyskov, H. Köppel and and C. M. Marian
     Phys. Chem. Chem. Phys. 19 (2017), 3937
     Nonadiabatic photodynamics and UV absorption spectrum of all−trans−octatetraene

196. C. M. Krauter, B. Schimmelpfennig, M. Pernpointner and A. Dreuw
     Chem. Phys. 482 (2017), 286
     Algebraic diagrammatic construction for the polarization propagator with spin−orbit coupling

197. A. Komainda, D. Lefrancois, A. Dreuw and and H. Köppel
     Chem. Phys. 482 (2017), 27
     Theoretical study of the initial non−radiative 1 Bu−2 Ag transition in the fluorescence quenching of s−trans−butadiene: Electronic structure methods and quantum dynamics

198. M. C. E. Galbraith, S. Scheit, N. V. Golubev, G. Reitsma, N. Zhavoronkov, V. Despré, F. Lépine, A. I. Kuleff, M. J. J. Vrakking, O. Kornilov, H. Köppel and J. Mikosch
     Nature Communications 8 (2017), 1018
     Few−femtosecond passage of conical intersections in the benzene cation

199. Ph. V. Demekhin, D. Hochstuhl and L. S. Cederbaum
     Phys. Rev. A 95 (2017), 049903(E)
     Erratum: "Photoionization of hydrogen atoms by coherent intense high−frequency short laser pulses: Direct propagation of electron wave packets on large spatial grids" [Phys. Rev. A 88, 023422 (2013)]

200. A. Csehi, G. J. Halász, L. S. Cederbaum and A. Vibók
     Phys. Chem. Chem. Phys. 19 (2017), 19656
     Intrinsic and light−induced nonadiabatic phenomena in the Nal molecule

201. A. Csehi, G. J. Halász, L. S. Cederbaum and A. Vibók
     J. Phys. Chem. Lett 8 (2017), 1624
     Competition between light−induced and intrinsic nonadiabatic phenomena in diatomics

202. L. S. Cederbaum
     Phys. Rev. A 96 (2017), 013615
     Exact many−body wave function and properties of trapped bosons in the infinite−particle limit

203. R. Beinke, S. Klaiman, L. S. Cederbaum, A. I. Streltsov and O. E. Alon
     Phys. Rev. A. 95 (2017), 063602
     Many−body effects in the excitation spectrum of weakly interacting Bose−Einstein condensates in one−dimensional optical lattices

204. F. Balmer, S. Kopec, H. Köppel and and S. Leutwyler
     J. Phys. Chem. A 121 (2017), 73
     Excitonic Splitting and Vibronic Coupling Analysis of the m−Cyanophenol Dimer

205. I. Baldea
     Faraday Discuss. 204 (2017), 35
     A Surprising Way to Control the Charge Transport in Molecular Electronics: the Subtle Impact of the Coverage of SAM of Floppy Molecules Adsorbed on Electrodes

206. I. Baldea
     Chem. Phys. 482 (2017), 311
     Vibrational properties of fractionally charged molecules and their relevance for molecular electronics and electrochemistry

207. I. Baldea
     Phys. Chem. Chem. Phys. 19 (2017), 30842
     Floppy Molecules as Candidates for Achieving Optoelectronic Molecular Devices without Skeletal Rearrangement or Bond Breaking

208. I. Baldea
     J. Phys. Chem. A 121 (2017), 2282
     Vibrational Frequencies of Fractionally Charged Molecular Species: Benchmarking DFT Results against Ab Initio Calculations

209. I. Baldea
     Org. Electron. 49 (2017), 19
     Important issues related to the law of corresponding states for the charge transport in molecular junctions with graphene electrodes

210. I. Baldea
     Phys. Chem. Chem. Phys. 19 (2017), 11759
     Protocol for Disentangling the Thermally Activated Contribution to the Tunneling−Assisted Charge Transport. Analytical Results and Experimental Relevance

211. I. Baldea
     Materials Today: Proceedings 4 (2017), 11519
     Scaling Properties and Related Issues in the Charge Transport through Molecular Junctions

212. A. N. Artemyev, L. S. Cederbaum and Ph. V. Demekhin
     Phys. Rev. A 95 (2017), 033402
     Impact of two−electron dynamics and correlations on high−order−harmonic generation in He

213. D. Amabilino, I. Baldea, J. Batteas, P. Beton, N. Bilbao, G. Costantini, J. Davidson, S. De Feyter, Y. Diaz Fernandez, K.−H. Ernst, B. Hirsch, A. Jabbarzadeh, R. Jones, A. Kuhnle, M. Lackinger, Z. Li, N. Lin, T. R. Linderoth, N. Martsinovich, M. Nalbach, C.−M. Pradier, T. Rahman, R. Raval, N. Robinson, F. Rosei, M. Sacchi, M. Samperi, A. Sanz Matias, A. Saywell, S. Schwaminger and S. L. Tait
     Faraday Discuss. 204 (2017), 503
     Probing properties of molecule−based interface systems: general discussion and Discussion of the Concluding Remarks

214. D. Amabilino, I. Baldea, O. Barykina, J. Batteas, P. Besenius, P. Beton, N. Bilbao, M. Buck, L. Chi, S. Clarke, G. Costantini, J. Davidson, P. Davies, S. De Feyter, Y. Diaz Fernandez, D. Dwivedi, K.−H. Ernst, A. Flood, J. Gautrot, A. Jabbarzadeh, V. Korolkov, A. Kuhnle, M. Lackinger, C.−M. Pradier, T. Rahman, R. Raval, S. Schwaminger, J. Seibel, S. L. Tait, J. Teyssandier and H. Zuilhof
     Faraday Discuss. 204 (2017), 395
     Preparing macromolecular systems on surfaces: general discussion

215. D. Amabilino, I. Baldea, P. Besenius, P. Beton, M. Blunt, M. Buck, N. R. Champness, L. Chi, S. Clarke, G. Costantini, S. De Feyter, Y. Diaz Fernandez, D. Dwivedi, K.−H. Ernst, A. Flood, B. Hirsch, R. Jones, A. Kuhnle, M. Lackinger, T. R. Linderoth, N. Martsinovich, A. Mount, M. Nalbach, C.−M. Pradier, T. Rahman, R. Raval, N. Robinson, M. Sacchi, S. Schwaminger, S. L. Tait, P. Woodruff and H. Zuilhof
     Faraday Discuss. 204 (2017), 271
     Supramolecular systems at liquid−solid interfaces: general discussion

216. D. Amabilino, I. Baldea, J. Batteas, P. Besenius, P. Beton, M. Buck, L. Chi, G. Costantini, P. Davies, S. De Feyter, Y. Diaz Fernandez, D. Dwivedi, K.−H. Ernst, A. Flood, B. Hirsch, V. Humblot, R. Jones, A. Kuhnle, M. Lackinger, N. Lin, T. R. Linderoth, C.−M. Pradier, T. Rahman, R. Raval, N. Robinson, M. Sacchi, S. Schwaminger, S. L. Tait, P. Woodruff and H. Zuilhof
     Faraday Discuss. 204 (2017), 123
     Supramolecular effects in self−assembled monolayers: general discussion

217. V. Stumpf, K. Gokhberg and L.S. Cederbaum
     Nature Chemistry 8 (2016), 237
     The role of metal ions in X−ray−induced photochemistry

218. A. Csehi, G.J. Haláz, L.S. Cederbaum and A. Vibók
     Faraday Discussions 194 (2016), 479
     Towards controlling the dissociation probability by light−induced conical intersections

219. L.S. Cederbaum
     J. Phys. Chem. 120 (2016), 3009
     Field operators in real space

220. O.E. Alon, V.S. Bagnato, R. Beinke, I. Brouzos, T. Calarco. T. Caneva, L.S. Cederbaum, M.A. Kasevich, S. Klaiman, A.U.J. Lode, S. Montangero, A. Negretti, R.S. Said, K. Sakmann, O.I. Streltsova, M. Theisen, M.C. Tsatsos, S.E. Weiner, T. Wells and A.I. Streltsov
     in: High Performance Computing in Science and Engineering '15, ed. W. E. Nagel and D. H. Kröner and M. M. Resch, Springer International Publishing, (2016)
     MCTDHB Physics and Technologies: Excitations and vorticity, single−shot detection, measurement of fragmentation, and optimal control in correlated ultra−cold Bosonic Many−Body Systems

221. D. Iablonskyi, K. Nagaya, H. Fukuzawa, K. Motomura, Y. Kumagai, S. Mondal, T. Tachibana, T. Takanashi, T. Nishiyama, K. Matsunami, P. Johnsson, P. Piseri, G. Sansone, A. Dubrouil, M. Reduzzi, P. Carpeggiani, C. Vozzi, M. Devetta, M. Negro, F. Calegari, A. Trabattoni, M.C. Castrovilli, D. Faccialà, Y. Ovcharenko, T. Möller, M. Mudrich, F. Stienkemeier, M. Coreno, M. Alagia, B. Schütte, N. Berrah, A.I. Kuleff, G. Jabbari, C. Callegari, O. Plekan, P. Finetti, C. Spezzani, E. Ferrari, E. Allaria, G. Penco, C. Serpico, G. De Ninno, I. Nikolov, B. Diviacco, S. Di Mitri, L. Giannessi, K.C. Prince and K. Ueda
     Phys. Rev. Lett. 117 (2016), 276806
     Slow Interatomic Coulombic Decay of Multiply Excited Neon Clusters

222. M. Wieteck, M. H. Larsen (née Vilhelmsen), P. Nösel, J. Schulmeister, F. Rominger, M. Rudolph, M. Pernpointner and A. S. K. Hashmi
     Adv. Synth. and Catal. 358 (2016), 1449
     Conjugated Vinylgold(I)−Vinylideneruthenium(II) Complexes and Related Organoruthenium Compounds: Stable Analogues of Intermediates Proposed in Dual Gold Catalysis

223. F. M. Pont, A. Bande and L. S. Cederbaum
     J. Phys.: Condens. Matter 28 (2016), 075301
     Electron−correlation driven capture and release in double quantum dots

224. B. Nikoobakht and H. Köppel
     Chem. Phys. Lett. 651 (2016), 221
     Quantum dynamics study of singlet−triplet transitions in s−trans−1,3−butadiene

225. K. Nagaya, D. Iablonskyi, N. V. Golubev, K. Matsunami, H. Fukuzawa, K. Motomura, T. Nishiyama, T. Sakai, T. Tachibana, S. Mondal, S. Wada, K. C. Prince, C. Callegari, C. Miron, N. Saito, M. Yabashi, Ph. V. Demekhin, L. S. Cederbaum, A. I. Kuleff, M. Yao and K. Ueda
     Nature Communications 7 (2016), 13477
     Interatomic Coulombic decay cascades in multiply excited neon clusters

226. J.−C. Liu, N. Berrah, L. S. Cederbaum, J. P. Cryan, J. M. Glownia, K. J. Schafer and C. Buth
     J. Phys. B, 49 (2016), 075602
     Rate equations for nitrogen molecules in ultrashort and intense x−ray pulses

227. A. C. LaForge, V. Stumpf, K. Gokhberg, J. von Vangerow, F. Stienkemeier, N. V. Kryzhevoi, P. O’Keeffe, A. Ciavardini, S. R. Krishnan, M. Coreno, K. C. Prince, R. Richter, R. Moshammer, T. Pfeifer, L. S. Cederbaum and M. Mudrich
     Phys. Rev. Lett. 116 (2016), 203001
     Enhanced ionization of embedded clusters by electron−transfer−mediated decay in Helium nanodroplets

228. A. C. LaForge, D. Regina, G. Jabbari, K. Gokhberg, N. V. Kryzhevoi, S. R. Krishnan, M. Hess, P. O’Keeffe, A. Ciarvardini, K. C. Prince, R. Richter, F. Stienkemeier, L. S. Cederbaum, T. Pfeifer, R. Moshammer and M. Mudrich
     Phys. Rev. A 93 (2016), 050502
     Fano resonances observed in helium nanodroplets

229. A. I. Kuleff, N. V. Kryzhevoi, M. Pernpointner and L. S. Cederbaum
     Phys. Rev. Lett. 117 (2016), 093002
     Core ionization initiates subfemtosecond charge migration in the valence shell of molecules

230. S. Kopec and H. Köppel
     J. Chem. Phys. 144 (2016), 024314
     Theoretical analysis of the S₂ <− S₀ vibronic spectrum of the 2−pyridone dimer

231. A. Komainda, I. Lyskov, C. M. Marian and and H. Köppel
     J. Phys. Chem. A 120 (2016), 6541
     Ab Initio Benchmark Study of Nonadiabatic S₁−S₂ Photodynamics of cis− and trans−Hexatriene

232. S. Klaiman and L. S. Cederbaum
     Phys. Rev. A 94 (2016), 063648
     Overlap of exact and Gross−Pitaevskii wave functions in Bose−Einstein condensates of dilute gases

233. G. Jabbari, K. Sadri, L. S. Cederbaum and K. Gokhberg
     J. Chem. Phys. 144 (2016), 164307
     Strong enhancement of cage effects in water photolysis caused by interatomic Coulombic decay

234. E. V. Gromov, S. Klaiman and L. S. Cederbaum
     Phys. Chem. Chem. Phys. 18 (2016), 10840
     How many bound valence states does the C₆₀⁻ anion have?

235. G. Füchsel, P. S. Thomas, J. den Uyl, Y. Öztürk, F. Nattino, H.−D. Meyer and G.−J. Kroes
     Phys. Chem. Chem. Phys. 18 (2016), 8174
     Rotational effects on the dissociation dynamics of CHD₃ on Pt(111)

236. M. Förstel, M. Mucke, T. Arion, T. Lischke, M. Pernpointner, U. Hergenhahn and E. Fasshauer
     J. Phys. Chem. C 120 (2016), 22957
     Long−Range Interatomic Coulombic Decay in ArXe Clusters: Experiment and Theory

237. A. Csehi, G. J. Halász, L. S. Cederbaum and Á. Vibók
     J. Chem. Phys. 144 (2016), 074309
     Tracking the photodissociation probability of D₂⁺ induced by linearly chirped laser pulses

238. I. Baldea
     RSC Adv. 6 (2016), 93715
     Fractional molecular charge studied via molecular vibrational properties. Specific aspects in Jahn−Teller active molecular species

239. I. Baldea
     Int. J. Nanotech. 13 (2016), 685
     Important impact of the experimental platform on the efficient control of electronic and vibrational properties of molecular junctions

240. I. Baldea
     Beilstein Journal of Nanotechnology 7 (2016), 418
     Invariance of molecular charge transport upon changes of extended molecule size and several related issues

241. I. Baldea
     RSC Adv. 6 (2016), 111903
     Tuning the conformation of floppy molecules by charge transfer

242. A. N. Artemyev, A. D. Müller, D. Hochstuhl, L. S. Cederbaum and Ph. V. Demekhin
     Phys. Rev. A 93 (2016), 043418
     Dynamic interference in the photoionization of He by coherent intense high−frequency laser pulses: Direct propagation of the two−electron wave packets on large spatial grids

243. N. Ansari and H.−D. Meyer
     J. Chem. Phys. 144 (2016), 054308
     Isotope effects of ground and lowest vibrational states of H_3−xD_xO₂⁻ complexes

244. S. Klaiman, A. U. Lode, K. Sakmann, O. I. Streltsova, O. E. Alon, L. S. Cederbaum and A. I. Streltsov
     in: High Performance Computing in Science and Engineering '14, ed. W. E. Nagel and D. H. Köner and M. M. Resch, Springer International Publishing, (2015)
     Quantum Many−Body Dynamics of Trapped Bosons with the MCTDHB Package: Towards New Horizons with Novel Physics

245. I. Baldea
     in: Molecular Electronics: An Experimental and Theoretical Approach, ed. I. Baldea, Pan Stanford, (2015)
     Transition Voltage Spectroscopy: An Appealing Tool of Investigation in Molecular Electronics

246. I. Baldea, eds.
     Molecular Electronics: An Experimental and Theoretical Approach,
     Pan Stanford, Boca Raton (2015)
     

247. Z. Xie, I. Baldea, C. E. Smith, Y. Wu and C. D. Frisbie
     ACS Nano 9 (2015), 8022
     Experimental and Theoretical Analysis of Nanotransport in Oligophenylene Dithiol Junctions as a Function of Molecular Length and Contact Work Function

248. B. Schütte, M. Arbeiter, Th. Fennel, G. Jabbari, A. I. Kuleff, M. J. J. Vrakking and A. Rouzée
     Nature Commun. 6 (2015), 8596
     Observation of correlated electronic decay in expanding clusters triggered by near−infrared fields

249. A. Sanchez−Gonzalez, T. R. Barillot, R. J. Squibb, P. Kolorenc, M. Agaker, V. Averbukh, M. J. Bearpark, C. Bostedt, J. D. Bozek, S. Bruce, S. Carron Montero, R. N. Coffee, B. Cooper, J. P. Cryan, M. Dong, J. H. D Eland, L. Fang, H. Fukuzawa, M. Guehr, M. Ilchen, A. S. Johnsson, C. Liekhus, A. Marinelli, T. Maxwell, K. Motomura, M. Mucke, A. Natan, T. Osipov, C. Östlin, M. Pernpointner, V. S. Petrovic, M. A. Robb, C. Sathe, E. R. Simpson, J. G. Underwood, M. Vacher, D. J. Walke, T. J. A. Wolf, V. Zhaunerchyk, J.−E. Rubensson, N. Berrah, P. H. Bucksbaum, K. Ueda, R. Feifel, L. J. Frasinski and J. P. Marangos
     J. Phys. B48 (2015), 234004
     Auger electron and photoabsorption spectra of glycine in the vicinity of the oxygen K−edge measured with an X−FEL

250. P. Ottiger, H. Köppel and S. Leutwyler
     Chem. Sci. 6 (2015), 6059
     Excitonic splittings in molecular dimers: why static ab initio calculations cannot match them

251. B. Nikoobakht, M. Siebert and M. Pernpointner
     Mol. Phys. 113 (2015), 3431
     A four−component Fock−space coupled cluster investigation of the HM(CO)5, (M=Mn, Re) photoelectron spectra

252. S. Ndengue, R. Daves, F. Gatti and H.−D. Meyer
     J. Phys. Chem. A 119 (2015), 12043
     Resonances of HCO computed using an approach based on the Multiconfiguration Time−Dependent Hartree method

253. Q. Meng and H.−D. Meyer
     J. Chem. Phys. 143 (2015), 164310
     Expansion Hamiltonian model for a diatomic molecule adsorbed on a surface: Vibrational states of the CO/Cu(100) system including surface vibrations

254. A. Marciniak, V. Despré, T. Barillot, A. Rouzée, M. C. E. Galbraith, J. Klei, C.−H. Yang, C. T. L. Smeenk, V. Loriot, S. Nagaprasad Reddy, A. G. G. M. Tielens, S. Mahapatra, A. I. Kuleff, M. J. J. Vrakking and F. Lépine
     Nature Commun. 6 (2015), 7909
     XUV excitation followed by ultrafast non−adiabatic relaxation in PAH molecules as a femto−astrochemistry experiment

255. C. Lévêque, R. Taïeb and H. Köppel
     Chem. Phys. 460 (2015), 135
     Theoretical assignment of the Clements bands of SO₂

256. N. V. Kryzhevoi, F. Tarantelli and L. S. Cederbaum
     Chem. Phys. Lett. 626 (2015), 85
     Tracing electron solvation in Li− (NH3)n clusters with K−shell photodetachment spectroscopy

257. C. M. Krauter, S. Bernadotte, C. R. Jacob, M. Pernpointner and A. Dreuw
     J. Phys. Chem. C119 (2015), 24564
     Identification of Plasmons in Molecules with Scaled Ab Initio Approaches

258. S. Kopec, P. Ottiger, S. Leutwyler and H. Köppel
     J. Chem. Phys 142 (2015), 084308
     Analysis of the S₂ <− S₀ vibronic spectrum of the ortho−cyanophenol dimer using a multimode vibronic coupling approach

259. A. Komainda, A. Zech and H. Köppel
     J. Mol. Spectrosc. 311 (2015), 25
     Ab initio quantum study of UV absorption spectra of cis− and trans−hexatriene

260. S. Klaiman and L. S. Cederbaum
     Angew. Chem. 54 (2015), 10470
     Barrierless single−electron−induced cis−trans isomerization

261. G. Jabbari, T. Miteva, V. Stumpf, K. Gokhberg, P. O'Keeffe, A. Ciavardini, P. Bolognesi, M. Coreno, L. Avaldi, E. Keshavarz, M. Ghandehari, M. Tozihi, C. Callegari, M. Alagia, K. C. Prince, A. Kivimäkig and R. Richterf
     Phys. Chem. Chem. Phys. 17 (2015), 22160
     Soft X−ray absorption spectroscopy of Ar₂ and ArNe dimers and small Ar clusters

262. G. J. Halász, Á. Vibók and L. S. Cederbaum
     J. Phys. Chem. Lett. 6 (2015), 348
     Direct signature of light−induced conical intersections in diatomics

263. E.V. Gromov, S. Klaiman and L.S. Cederbaum
     Mol. Phys. 113 (2015), 2964
     Influence of caged noble−gas atom on the superatomic and valence states of C₆₀⁻

264. N. V. Golubev and A. I. Kuleff
     Phys. Rev. A 91 (2015), 051401(R)
     Control of charge migration in molecules by ultrashort laser pulses

265. E. Faßhauer, P. Kolorenc and M. Pernpointner
     J. Chem. Phys. 142 (2015), 144106
     Relativistic decay widths of autoionization processes: The relativistic FanoADC−Stieltjes method

266. A. Dubrouil, M. Reduzzi, M. Devetta, C. Feng, J. Hummert, P. Finetti, O. Plekan, C. Grazioli, M. Di Fraia, V. Lyamayev, A. LaForge, F. Stienkemeier, Y. Ovcharenko, M. Coreno, P. O'Keeffe, N. Berrah, K. Motomura, S. Mondal, K. Ueda, K. Prince, C. Callegari, A. I. Kuleff, Ph. V. Demekhin and G. Sansone
     J. Phys. B 48 (2015), 204005
     Two−photon resonant excitation of interatomic Coulombic decay in neon dimers

267. V. Desprée, A. Marciniak, V. Loriot, M. C. E. Galbraith, A. Rouzée, M. J. J. Vrakking, F. Lépine and A. I. Kuleff
     J. Phys. Chem. Lett. 6 (2015), 426
     Attosecond hole migration in benzene molecules surviving nuclear motion

268. P. V. Demekhin and L. S. Cederbaum
     Phys. Rev. A 91 (2015), 013417
     Quantum oscillations between close−lying states mediated by the electronic continuum in intense high−frequency pulses

269. A. Csehi, G. J. Halász, L. S. Cederbaum and Á. Vibók
     J. Chem. Phys. 143 (2015), 014305
     Photodissociation of D₂⁺ induced by linearly chirped laser pulses

270. L. S. Cederbaum
     Chem. Phys. 457 (2015), 129
     The exact wavefunction of interacting N degrees of freedom as a product of N single−degree−of−freedom wavefunctions

271. S. Brandt and M. Pernpointner
     Chem. Phys. 455 (2015), 7
     Calculation of the lowest electronic excitations of the alkaline earth metals using the relativistic polarization propagator

272. R. Beinke, S. Klaiman, L. S. Cederbaum, A. I. Streltsov and O. E. Alon
     Phys. Rev. A 92 (2015), 043627
     Many−body tunneling of Bose−Einstein condensates and vortex states in two spatial dimensions

273. A. Bande, F. M. Pont, K. Gokhberg and L. S. Cederbaum
     EPJ Web Conf. 84 (2015), 07002
     Interatomic Coulombic electron capture in atomic, molecular, and quantum dot systems

274. I. Baldea
     Phys. Chem. Chem. Phys. 17 (2015), 31260
     Counterintuitive issues in the charge transport through molecular junctions

275. I. Baldea
     Phys. Chem. Chem. Phys. 17 (2015), 20217
     Important issues facing model−based approaches to tunneling transport in molecular junctions

276. I. Baldea
     Phys. Chem. Chem. Phys. 17 (2015), 15756
     Important impact of the molecule−electrode couplings asymmetry on the efficiency of bias−driven redox processes in molecular junctions

277. I. Baldea, Z. Xie and C. D. Frisbie
     Nanoscale 7 (2015), 10465
     Uncovering a law of corresponding states for electron tunneling in molecular junctions

278. M. Assmann, H. Köppel and S. Matsika
     Phys. Chem. A, 119 (2015), 866
     Photoelectron spectrum and dynamics of the uracil cation

279. O. Vendrell, M. Schröder and H.−D. Meyer
     in: Molecular Quantum Dynamics, ed. F. Gatti, Springer, Heidelberg (2014)
     Vibrational Spectroscopy and Molecular Dynamics

280. H. Köppel
     in: Molecular Quantum Dynamics, ed. F. Gatti, Springer, Heidelberg (2014)
     Vibronic coupling effects in spectroscopy and non−adiabatic transitions in molecular photodynamics

281. G. Klatt and H. Köppel
     in: Molecular catalysts: Structural and functional design, ed. L. Gade and P. Hofmann, Wiley−VCH, Weinheim (2014)
     Quantum dynamics of molecular elementary processes in catalytic transformations

282. J. P. Zobel, N. V. Kryzhevoi and M. Pernpointner
     J. Chem. Phys. 140 (2014), 161103
     Communication: Electron transfer mediated decay enabled by spin−orbit interaction in small krypton/xenon clusters

283. V. Stumpf, N. V. Kryzhevoi, K. Gokhberg and L. S. Cederbaum
     Phys. Rev. Lett. 112 (2014), 193001
     Enhanced one−photon double ionization of atoms and molecules in an environment of different species

284. O. I. Streltsova, O. E. Alon, L. S. Cederbaum and A. I. Streltsov
     Phys. Rev. A 89 (2014), 061602 (R)
     Generic regimes of quantum many−body dynamics of trapped bosonic systems with strong repulsive interactions

285. P. Slavícek, B. Winter, L. S. Cederbaum and N. V. Kryzhevoi
     J. Am. Chem. Soc. 136 (2014), 18170
     Proton−transfer mediated enhancement of nonlocal electronic relaxation processes in x−ray irradiated liquid water

286. M. Schröder and H.−D. Meyer
     J. Chem. Phys. 141 (2014), 034116
     Calculation of the vibrational excited states of malonaldehyde and their tunneling splittings with the multi−configuration time−dependent Hartree method

287. K. Sakmann, A. I. Streltsov, O. E. Alon and L. S. Cederbaum
     Phys. Rev. A 89 (2014), 023602
     Universality of fragmentation in the Schrödinger dynamics of bosonic Josephson junctions

288. K. Sadri, D. Lauvergnat, F. Gatti and H.−D. Meyer
     J. Chem. Phys. 141 (2014), 114101
     Rovibrational spectroscopy using a kinetic energy operator in Eckart frame and the multi−configuration time−dependent Hartree (MCTDH) approach

289. M. Ruberti, R. Yun, K. Gokhberg, S. Kopelke, L. S. Cederbaum, F. Tarantelli and V. Averbukh
     J. Chem. Phys. 140 (2014), 184107
     Total photoionization cross−sections of excited electronic states by the algebraic diagrammatic construction−Stieltjes−Lanczos method

290. M. Pernpointner
     J. Chem. Phys. 140 (2014), 084108
     The relativistic polarization propagator for the calculation of electronic excitations in heavy systems

291. D. Pelaez, K. Sadri and H.−D. Meyer
     Spectrochimica Acta Part A 119 (2014), 42
     Full−dimensional MCTDH/MGPF study of the ground and lowest lying vibrational states of the bihydroxide H₃O₂⁻ complex

292. F. Otto
     J. Chem. Phys. 140 (2014), 014106
     Multi−Layer Potfit: An accurate potential representation for efficient high−dimensional quantum dynamics

293. S. Ndengue, S. Madronich, F. Gatti, H.−D. Meyer, O. Motapon and R. Jost
     J. Geophys. Res. Atmos. 119 (2014), 4286
     Ozone photolysis: Strong isotopologue/isotopomer selectivity in the stratosphere

294. T. Miteva, Y.−C. Chiang, P. Kolorenc, A. I. Kuleff, L. S. Cederbaum and K. Gokhberg
     J. Chem. Phys. 141 (2014), 164303
     The effect of the partner atom on the spectra of interatomic Coulombic decay triggered by resonant Auger processes

295. T. Miteva, Y.−C. Chiang, P. Koloren?, A. I. Kuleff, K. Gokhberg and L. S. Cederbaum
     J. Chem. Phys. 141 (2014), 064307
     Interatomic Coulombic decay following resonant core excitation of Ar in argon dimer

296. Q. Meng and H.−D. Meyer
     J. Chem. Phys. 141 (2014), 124309
     A full−dimensional multilayer multiconfiguration time−dependent Hartree study on the ultraviolet absorption spectrum of formaldehyde oxide

297. A. U. J. Lode, S. Klaiman, O. E. Alon, A. I. Streltsov and L. S. Cederbaum
     Phys. Rev. A 89 (2014), 053620
     Controlling the velocities and the number of emitted particles in the tunneling to open space dynamics

298. C. Lévêque, D. Pelaez, H. Köppel and R. Taieb
     Nature Communications 5 (2014), 4126
     Direct observation of spin−forbidden transitions through the use of suitably polarized light

299. C. Lévêque, H. Köppel and R. Taieb
     J. Chem. Phys. 140 (2014), 204303
     Excited state dynamics in SO₂. III. An ab initio quantum study of single− and multi−photon ionization

300. C. Lévêque, R. Taieb and H. Köppel
     J. Chem. Phys. Commun. 140 (2014), 091101
     Theoretical prediction of the importance of the ³B₂ state in the dynamics of sulfur dioxide

301. S. R. Leone, C. W. McCurdy, J. Burgdörfer, L. S. Cederbaum, Z. Chang, N. Dudovich, J. Feist, C. H. Greene, M. Ivanov, R. Kienberger, U. Keller, M. F. Kling, Z.−H. Loh, T. Pfeifer, A. N. Pfeiffer, R. Santra, K. Schafer, A. Stolow, U. Thumm and M. J. J. Vrakking
     Nature Photonics 8 (2014), 162
     What will it take to observe processes in 'real time'?

302. B. Lasorne, J. Jornet−Somoza, H.−D. Meyer, D. Lauvergnat, M. A. Robb and F. Gatti
     Spectrochimica Acta Part A 119 (2014), 52
     Vertical transition energies vs. absorption maxima: Illustration with the UV absorption spectrum of ethylene

303. A. I. Kuleff and L. S. Cederbaum
     J. Phys. B 47 (2014), 124002
     Ultrafast correlation−driven electron dynamics

304. C. M. Krauter, J. Schirmer, C. R. Jacob, M. Pernpointner and A. Dreuw
     J. Chem. Phys. 141 (2014), 104101
     Plasmons in molecules: Microscopic characterization based on orbital transitions and momentum conservation

305. A. Knie, A. Hans, M. Förstel, U. Hergenhahn, P. Schmidt, P. Reiß, C. Ozga, B. Kambs, F. Trinter, J. Voigtsberger, D. Metz, T. Jahnke, R. Dörner, A. I. Kuleff, L. S. Cederbaum, P. V. Demekhin and A. Ehresmann
     New J. Phys. 16 (2014), 102002
     Detecting ultrafast interatomic electronic processes in media by fluorescence

306. S. Klaiman and L. S. Cederbaum
     J. Chem. Phys. 141 (2014), 194104
     The best orbital and pair function for describing ionic and excited states on top of the exact ground state

307. S. Klaiman, E. V. Gromov and L. S. Cederbaum
     Phys. Chem. Chem. Phys. 16 (2014), 13287
     All for one and one for all: accommodating an extra electron in C₆₀

308. S. Klaiman, A. U. J. Lode, A. I. Streltsov, L. S. Cederbaum and O. E. Alon
     Phys. Rev. A 90 (2014), 043620
     Breaking the resilience of a two−dimensional Bose−Einstein condensate to fragmentation

309. S. Klaiman and L. S. Cederbaum
     Phys. Rev. A 89 (2014), 039908 (E)
     Erratum: Non−Hermitian Hamiltonians with space−time symmetry

310. L. Joubert−Doriol, D. Lauvergnat, H.−D. Meyer and F. Gatti
     J. Chem. Phys. 140 (2014), 044301
     A generalized vibronic−coupling Hamiltonian model for benzopyran

311. G. Jabbari, S. Klaiman, Y.−C. Chiang, F. Trinter, T. Jahnke and K. Gokhberg
     J. Chem. Phys. 140 (2014), 224305
     Ab initio calculation of ICD widths in photoexcited HeNe

312. J. Hodgkiss, G. Conboy, G. Hutchings, S. Higgins, I. Galbraith, N. Findlay, R. Taylor, M. Salle, S. Zhang, G. Frey, I. Bâldea, I. Samuel, B. Ebenhoch, F. Wudl, A. Turak, B. Xu, E. Angioni, R. Venkatramani, U. Lemmer, D. Perepichka, A. Kanibolotsky, P. Skabara, J. Wildman, E. Zysman−Colman, D. Bradley, I. McCulloch, J. McDouall, S. Ponomarenko, J. Nelson and J.−S. Kim
     Faraday Discuss. 174 (2014), 341
     Organic photovoltaics and energy: general discussion

313. J. Hodgkiss, E. Zysman−Colman, S. Higgins, G. Solomon, I. Bâldea, I. Samuel, L. Venkataraman, F. Wudl, B. Xu, R. Venkatramani, H. Ottosson, D. Perepichka, U. Lemmer, P. Skabara, A. Mount and D. Bradley
     Faraday Discuss. 174 (2014), 125
     Molecular electronics: general discussion

314. N. V. Golubev and A. I. Kuleff
     Phys. Rev. A 90 (2014), 035401
     Control of populations of two−level systems by a single resonant laser pulse

315. K. Gokhberg, P. Kolorenc, A. I. Kuleff and L. S. Cederbaum
     Nature 505 (2014), 661
     Site− and energy−selective slow−electron production through intermolecular Coulombic decay

316. E. Fasshauer, M. Förstel, S. Pallmann, M. Pernpointer and U. Hergenhahn
     New J. Phys. 16 (2014), 103026
     Using ICD for structural analysis of clusters: a case study on NeAr clusters

317. E. Faßhauer, M. Förstel, S. Pallmann, M. Pernpointner and U. Hergenhahn
     New J. Phys. 16 (2014), 103026
     Using ICD for structural analysis of clusters: A case study on NeAr clusters

318. A. D. Dutoi and L. S. Cederbaum
     Phys. Rev. A 90 (2014), 023414
     Time−resolved pump−probe spectroscopy to follow valence electronic motion in molecules : Application

319. Y.−C. Chiang, S. Klaiman, F. Otto and L. S. Cederbaum
     J. Chem. Phys. 140 (2014), 054104
     The exact wavefunction factorization of a vibronic coupling system

320. L. S. Cederbaum
     J. Chem. Phys. 141 (2014), 029902
     Erratum: "The exact wavefunction as a product of an electronic and a nuclear wavefunction" [J. Chem. Phys. 138, 224110 (2013)]

321. I. Brezinova, J. Burgdörfer, A. U. J. Lode, A. I. Streltsov, L. S. Cederbaum, O. E. Alon, L. A. Collins and B. I. Schneider
     J. Phys. Conf. Ser. 488 (2014), 012032
     Elastic scattering of a Bose−Einstein condensate at a potential landscape

322. I. Baldea
     J. Phys. Chem. C 118 (2014), 8676
     Single−Molecule Junctions Based on Bipyridine: Impact of an Unusual Reorganization on the Charge Transport

323. I. Baldea
     Nanotechnology 25 (2014), 455202
     Quantifying the relative molecular orbital alignment for molecular junctions with similar chemical linkage to electrodes

324. I. Baldea
     Faraday Discuss. 174 (2014), 37
     A quantum chemical study from a molecular transport perspective: ionization and electron attachment energies for species often used to fabricate single−molecule junctions

325. I. Baldea
     RSC Adv. 4 (2014), 33257
     Concurrent conductance and transition voltage spectroscopy study of scanning tunneling microscopy vacuum junctions. Does it unravel new physics?

326. I. Baldea
     Phys. Chem. Chem. Phys. 16 (2014), 25942
     Electrochemical setup − a unique chance to simultaneously control orbital energies and vibrational properties of single−molecule junctions with unprecedented efficiency

327. I. Baldea and H. Köppel
     J. Nanomater. Mol. Nanotechnol. 3 (2014), 1
     From Quantum−Dot Nanorings to Polyacetylene via Small Annulenes. A Full Configuration Interaction Description Based on an Extended Hubbard−Su−Schrieffer−Heeger Model

328. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
     J. Chem. Phys. 140 (2014), 034108
     Unified view on linear response of interacting identical and distinguishable particles from multiconfigurational time−dependent Hartree methods

329. V. K. Voora, L. S. Cederbaum and K. D. Jordan
     J. Phys. Chem. Lett. 4 (2013), 849
     Existence of a correlation bound s−type anion state of C60

330. M. Tashiro, N. V. Kryzhevoi, L. S. Cederbaum and M. Ehara
     J. Phys. B 46 (2013), 164012
     Polarization and site dependence of interatomic relaxation effects in double core hole states

331. V. Stumpf, P. Kolorenc, K. Gokhberg and L. S. Cederbaum
     Phys. Rev. Lett. 110 (2013), 258302
     Efficient pathway to neutralization of multiply charged ions produced in Auger processes

332. M. Schröder, D. Pelaez and H.−D. Meyer
     in: High Performance Computing in Science and Engineering '13, ed. W.E. Nagel, D.H. Kröner and M.M. Resch, Springer, Heidelberg (2013)
     Numerical studies of the Tunneling Splitting of Malonaldehyde and the Eigenstates of Hydrated Hydroxyde Anion Using MCTDH

333. M. Ruberti, R. Yun, K. Gokhberg, S. Kopelke, L. S. Cederbaum, F. Tarantelli and V. Averbukh
     J. Chem. Phys. 139 (2013), 144107
     Total molecular photoionization cross−sections by algebraic diagrammatic construction−Stieltjes−Lanczos method: Benchmark calculations

334. E. Pradhan, J. L. Carreon−Macedo, J. E. Cuervo, Markus Schröder and Alex Brown
     J. Phys. Chem. A 117 (2013), 6925
     Ab Initio Potential Energy and Dipole Moment Surfaces for CS₂: Determination of Molecular Vibrational Energies

335. F. M. Pont, A. Bande and L. S. Cederbaum
     Phys. Rev. B 88 (2013), 241304
     Controlled energy−selected electron capture and release in double quantum dots

336. M. Pernpointner and F. Salopiata
     J. Phys. B, 46 (2013), 125101
     A four−component quadratic vibronic coupling approach to the Renner−Teller Effect in linear triatomic molecules. The 2Π_1/2, 2Π_3/2 manifold of BrCN⁺ and ClCN⁺

337. D. Pelaez and H.−D. Meyer
     J. Chem. Phys. 138 (2013), 014108
     The multigrid POTFIT (MGPF) method: Grid representations of potentials for quantum dynamics of large systems

338. M. Ndong, A. Nauts, L. Joubert−Doriol, H.−D. Meyer, F. Gatti and D. Lauvergnat
     J. Chem. Phys. 139 (2013), 204107
     Automatic computer procedure for generating exact and analytical kinetic energy operators based on the polyspherical approach: general formulation and removal of singularities

339. Q. Meng and H.−D. Meyer
     J. Chem. Phys. 139 (2013), 164709
     MCTDH study on vibrational states of the CO/Cu(100) system

340. Q. Meng and H.−D. Meyer
     J. Chem. Phys. 138 (2013), 014313
     A multilayer MCTDH study on the full dimensional vibronic dynamics of naphthalene and anthracene cations

341. R. F. Malenda, F. Gatti, H.−D. Meyer, D. Talbi and A. P. Hickman
     Chem. Phys. Lett. 585 (2013), 184
     Comparison of the multi−configuration, time−dependent Hartree (MCTDH) method with the Arthurs and Dalgarno coupled−channel method for rotationally inelastic scattering

342. A.U.J Lode, K. Sakmann, R.A. Doganov, J. Grond, O.E. Alon, A.I. Streltsov and L.S. Cederbaum
     in: High Performance Computing in Science and Engineering '13, ed. W.E. Nagel, D.H. Kröner and M.M. Resch, Springer, Heidelberg (2013)
     Numerically−Exact Schrödinger Dynamics of Closed and Open Many−Boson Systems with the MCTDHB Package

343. C. Lévêque, A. Komainda, R. Taieb and H. Köppel
     J. Chem. Phys. 138 (2013), 044320
     Ab initio quantum study of the photodynamics and absorption spectrum for the coupled 1¹A₂ and 1¹B₁ states of SO₂

344. A. I. Kuleff, S. Lünnemann and L. S. Cederbaum
     Chem. Phys. 414 (2013), 100
     Electron−correlation−driven charge migration in oligopeptides

345. N. V. Kryzhevoi, D. Mateo, M. Pi, M. Barranco and L. S. Cederbaum
     Phys. Chem. Chem. Phys., 15 (2013), 18167
     Probing the interface of doped isotopically mixed helium droplets by the directional anisotropy of interatomic Coulombic decay

346. C. M. Krauter, J. Möhring, T. Buckup, M. Pernpointner and M. Motzkus
     Phys. Chem. Chem. Phys. 15 (2013), 17846
     Ultrafast branching in the excited state of coumarin and umbelliferone

347. C. M. Krauter, M. Pernpointner and A. Dreuw
     J. Chem. Phys. 138 (2013), 044107
     Application of the scaled−opposite−spin approximation to algebraic diagrammatic construction schemes of second order

348. A. Komainda, B. Ostojic and H. Köppel
     J. Phys. Chem. A 117 (2013), 8782
     Ab initio quantum study of nonadiabatic S1−S2 photodynamics of s−trans butadiene

349. G. Klatt, R. Xu, M. Pernpointner, L. Molinari, T.−Q. Hung, F. Rominger, S. Hashmi and H. Köppel
     Chem. Eur. J. 19 (2013), 3954
     Are beta−H eliminations or alkene insertions feasible elementary steps in catalytic cycles involving gold(I) alkyl species or gold(I) hydrides?

350. S. Klaiman, E. V. Gromov and L. S. Cederbaum
     J. Phys. Chem. Lett. 4 (2013), 3319
     Extreme correlation effects in the elusive bound spectrum of C₆₀⁻

351. S. H. Kaufman, J. M. Weber and M. Pernpointner
     J. Chem. Phys. 139 (2013), 194310
     Electronic structure and UV spectrum of hexachloroplatinate dianions in vacuo

352. N. Ibrahim, M. H. Vilhelmsen, M. Pernpointner, F. Rominger, A. Stephen and K. Hashmi
     Organometallics, 32 (2013), 2576
     Gold Phenolate Complexes: Synthesis, Structure and Reactivity

353. M. M. Hansmann, M. Pernpointner, R. Döpp and A. S. K. Hashmi
     Chem. Eur. J. 19 (2013), 15290
     A Theoretical DFT−based and an Experimental Study of the Transmetalation Step in Au/Pd Mediated Cross−Coupling Reactions.

354. G. J. Halasz, A. Vibok, H.−D. Meyer and L. S. Cederbaum
     J. Phys. Chem. A 117 (2013), 8528
     Effect of Light−Induced Conical Intersection on the Photodissociation Dynamics of the D₂⁺ Molecule

355. G. Halaz, A. Vibok, N. Moiseyev and L. S. Cederbaum
     Phys. Rev. A 88 (2013), 043413
     Nuclear−wave−packet quantum interference in the intense laser dissociation of the D2+ molecule

356. J. Grond, A. I. Streltsov, A. U. J. Lode, K. Sakmann, L. S. Cederbaum and O. E. Alon
     Phys. Rev. A 88 (2013), 023606
     Excitation spectra of many−body systems by linear response: General theory and applications to trapped condensates

357. E. V. Gromov, V. S. Reddy, F. Gatti and H. Köppel
     J. Chem. Phys. 139 (2013), 234306
     Reaction surface approach to multimode vibronic coupling problems: General framework and application to furan

358. Elke Fasshauer, Markus Pernpointner and Kirill Gokhberg
     J. Chem. Phys. 138 (2013), 014305
     Interatomic decay of inner−valence ionized states in ArXe clusters: Relativistic approach

359. E. Faßhauer, M. Pernpointner and K. Gokhberg
     J. Chem. Phys. 138 (2013), 014305
     Interatomic decay of inner−valence ionized states in ArXe clusters: Relativistic approach.

360. A. D. Dutoi, K. Gokhberg and L. S. Cederbaum
     Phys. Rev. A 88 (2013), 013419
     Time−resolved pump−probe spectroscopy to follow valence electronic motion in molecules: Theory

361. R. A. Doganov, S. Klaiman, O. E. Alon, A. I. Streltsov and L. S. Cederbaum
     Phys. Rev. A 87 (2013), 033631
     Two trapped particles interacting by a finite−range two−body potential in two spatial dimensions

362. Ph. V. Demekhin and L. S. Cederbaum
     J. Phy. B 46 (2013), 164008
     Resonant Auger decay of core−excited CO molecules in intense x−ray laser pulses: the O (1s → Π*) excitation

363. Ph. V. Demekhin and L. S. Cederbaum
     J. Chem. Phys. 139 (2013), 154314
     Light−induced conical intersections in polyatomic molecules: General theory, strategies of exploitation, and application

364. Ph. V. Demekhin and L. S. Cederbaum
     Phys. Rev. A 88 (2013), 043414
     ac Stark effect in the electronic continuum and its impact on the photoionization of atoms by coherent intense short high−frequency laser pulses

365. Ph. V. Demekhin, D. Hochstuhl and L. S. Cederbaum
     Phys. Rev. A 88 (2013), 023422
     Photoionization of hydrogen atoms by coherent intense high−frequency short laser pulses: Direct propagation of electron wave packets on large spatial grids

366. Ph. V. Demekhin, K. Gokhberg, G. Jabbari, S. Kopelke, A. I. Kuleff and L. S. Cederbaum
     J. Phys. B 46 (2013), 021001
     Overcoming blockade in producing doubly excited dimers by a single intense pulse and their decay

367. L. S. Cederbaum
     J. Chem. Phys. 138 (2013), 224110
     The exact molecular wavefunction as a product of an electronic and a nuclear wavefunction

368. D. Brox, A. Kiel, S. J. Wörner, M. Pernpointner, P. Comba, B. Martin and D.−P. Herten
     PLOS One 8 (2013), e58049
     Ensemble and Single−Molecule Studies on Fluorescence Quenching in Transition Metal Bibyridine−Complexes.

369. Ioan Baldea
     Nanoscale 5 (2013), 9222
     Transition voltage spectroscopy reveals significant solvent effects on molecular transport and settles an important issue in bipyridine−based junctions

370. I. Baldea
     J. Phys. Chem. C, 117 (2013), 25798
     Important Insight into Electron Transfer in Single−Molecule Junctions Based on Redox Metalloproteins from Transition Voltage Spectroscopy

371. I Baldea, H Köppel and W. Wenzel
     Phys. Chem. Chem. Phys. 15 (2013), 1918
     (4, 4')−Bipyridine in vacuo and in solvents: A quantum chemical study of a prototypical floppy molecule from a molecular transport perspective

372. I. Baldea
     Electrochem. Commun. 36 (2013), 19
     Demonstrating why DFT−calculations for molecular transport in solvents need scissor corrections

373. O.E. Alon, A.I. Streltsov, K. Sakmann and L.S. Cederbaum
     in: Quantum Gases: Finite Temperature and Non−Equilibrium Dynamics (Vol. 1 Cold Atoms Series), ed. N.P. Proukakis, S.A. Gardiner, M.J. Davis and M.H. Szymanska, Im. College Press, London (2013)
     Multiconfigurational Time−Dependent Hartree Methods for Bosonic Systems: Theory and Applications

374. R. Xu, G. Klatt, M. Enders and H. Köppel
     J. Phys. Chem. A 116 (2012), 1077
     Theoretical evaluation of ethylene insertion into chromium alkyl bonds of Cp−donor−based olefin polymerization catalysts

375. V. P. Vysotskiy, L. S. Cederbaum, T. Sommerfeld, V. K. Voora and K. D. Jordan
     J. Chem. Theory Comput. 8 (2012), 893
     Benchmark calculations of the energies for binding excess electrons to water clusters

376. A. Vibok, A. Csehi, E. Gindensperger, H. Köppel and G. J. Halász
     J. Phys. Chem. A 116 (2012), 2629
     Quantum dynamics through conical intersections: Combining effective modes and quadratic couplings

377. J. Jornet Somoza, B. Lasorne, M. Robb, H.−D. Meyer, D. Lauvergnat and F. Gatti
     J. Chem. Phys 137 (2012), 084304
     A generalised 17−state vibronic−coupling Hamiltonian model for ethylene

378. N. Sisourat, N. V. Kryzhevoi, P. Kolorenc anf S. Scheit and L. S. Cederbaum
     J. Phys.: Conf. Ser. 388 (2012), 012043
     Giant Interatomic Coulombic Decay

379. J. Schirmer
     Phys. Rev. A 86 (2012), 012514
     Reexamination of the Runge−Gross action−integral−functional

380. G. Sansone, T. Pfeifer, K. Simeonidis and A. I. Kuleff
     Chem. Phys. Chem. 13 (2012), 661
     Electron correlation in real time

381. M. Sala, F. Gatti, D. Lauvergnat and H.−D. Meyer
     Phys. Chem. Chem. Phys. 14 (2012), 3791
     Effect of the overall rotation on the cis−trans isomerisation of HONO induced by an external field

382. M. Sala, S. Guerin, F. Gatti, R. Marquardt and H.−D. Meyer
     J. Chem. Phys. 136 (2012), 194308
     Laser induced enhancement of tunneling in NHD₂

383. K. Sadri, D. Lauvergnat, F. Gatti and H.−D. Meyer
     J. Chem. Phys. 136 (2012), 234112
     Numeric kinetic energy operators for molecules in polyspherical coordinates

384. M. Pernpointner, J. P. Zobel and N. V. Kryzhevoi
     Phys. Rev. A 85 (2012), 012505
     Strong Configuration Interaction in the Double Ionization Spectra of Noble Gases Studied by the Relativistic Propagator Method

385. F. Otto, F. Gatti and H.−D. Meyer
     Mol. Phys. 110 (2012), 619
     Rovibrational energy transfer in collisions of H₂ with D₂. A full−dimensional wave packet propagation study

386. Ph. Ottiger, S. Leutwyler and H. Köppel
     J. Chem. Phys. 136 (2012), 174308
     Vibrational quenching of excitonic splittings in H−bonded molecular dimers: The electronic Davydov splittings cannot match experiment

387. B. Nikoobakht, H. Köppel, E. Gindensperger and L. S. Cederbaum
     J. Chem. Phys. 137 (2012), 114110
     Efficient computation of adiabatic electronic populations in multi−mode vibronic systems: Theory, implementation, and application

388. M. Ndong, L. Joubert Doriol, H.−D. Meyer, A. Nauts, F. Gatti and D. Lauvergnat
     J. Chem. Phys. 136 (2012), 034107
     Automatic computer procedure for generating exact and analytical kinetic energy operators based on the polyspherical approach

389. S. A. Ndengue, R. Schinke, F. Gatti, H.−D. Meyer and R. Jost
     J. Phys. Chem. A 116 (2012), 12271
     Ozone Photodissociation: Isotopic and Electronic Branching Ratios for Symmetric and Asymmetric Isotopologues

390. S. A. Ndengue, R. Schinke, F. Gatti, H.−D. Meyer and R. Jost
     J. Phys. Chem. A 116 (2012), 12260
     Comparison of the Huggins Band for Six Ozone Isotopologues: Vibrational Levels and Absorption Cross Section

391. Q. Meng, S. Faraji, O. Vendrell and H.−D. Meyer
     J. Chem. Phys. 137 (2012), 134302
     Full dimensional quantum−mechanical simulations for the vibronic dynamics of diflurorbenzene radical cation isomers using the multilayer multiconfiguration time−dependent Hartree method

392. A. U. Lode, A. I. Streltsov, K. Sakmann, O. E. Alon and L. S. Cederbaum
     Proc. Natl. Acad. Sci. 109 (2012), 13521
     How an interacting many−body system tunnels through a potential barrier to open space

393. A. U. J. Lode, K. Sakmann, O. E. Alon, L. S. Cederbaum and A. I. Streltsov
     Phys. Rev. A 86 (2012), 063606
     Numerically exact quantum dynamics of bosons with time−dependent interactions of harmonic type

394. A. I. Kuleff, S. Lünnemann and L. S. Cederbaum
     Chem. Phys. 399 (2012), 245
     Ultrafast reorganization of the hole charge created upon outer−valence ionization of porphyrins

395. N. V. Kryzhevoi and L. S. Cederbaum
     J. Phys. Chem. Lett. 3 (2012), 2733
     Exploring protonation and deprotonation effects with Auger electron spectroscopy

396. N. V. Kryzhevoi, M. Tashiro, M. Ehara and L. S. Cederbaum
     J. Chem. Phys. 137 (2012), 154316
     Interatomic relaxation effects in double core ionization of chain molecules

397. S. Kopec, Ph. Ottiger, S. Leutwyler and H. Köppel
     J. Chem. Phys. 137 (2012), 184312
     Vibrational quenching of excitonic splittings in H−bonded molecular dimers: Adiabatic description and effective mode approximation

398. S. Kopelke, Y.−C. Chiang, K. Gokhberg and L. S. Cederbaum
     J. Chem. Phys. 137 (2012), 034302
     Quenching molecular photodissociation by intermolecular Coulombic decayâ

399. L. Joubert−Doriol, B. Lasorne, F. Gatti, M. Schröder, O. Vendrell and H.−D. Meyer
     Comp. Theor. Chem. 990 (2012), 75
     Suitable coordinates for quantum dynamics: Applications using the multiconfiguration time−dependent Hartree (MCTDH) algorithm

400. G. J. Halász, M. Sindelka, N. Moiseyev, L. S. Cederbaum and A. Vibók
     J. Phys. Chem. A 116 (2012), 2636
     Light−induced conical intersections: Topological phase, wave packet dynamics, and molecular alignment

401. G. J. Halasz, A. Vibok, M. Sindelka, L. S. Cederbaum and N. Moiseyev
     Chem. Phys. 399 (2012), 146
     The effect of light−induced conical intersections on the alignment of diatomic molecules

402. G. J. Halasz, A. Vibok, N. Moiseyev and L. S. Cederbaum
     J. Phys. B 45 (2012), 135101
     Light−induced conical intersections for short and long laser pulses: Floquet and rotating wave approximations versus numerical exact results

403. J. Grond, A. I. Streltsov, L. S. Cederbaum and O. E. Alon
     Phys. Rev. A 86 (2012), 063607
     Excitation spectra of fragmented condensates by linear response: General theory and application to a condensate in a double−well potential

404. E. V. Gromov, I. Burghardt, H. Köppel and L. S. Cederbaum
     J. Photochem. Photobiol. A 234 (2012), 123
     Native hydrogen bonding network of the photoactive yellow protein (PYP) chromophore: Impact on the electronic structure and photoinduced isomerization

405. S. Gomez−Carrasco and H. Köppel
     J. Chem. Sci. 124 (2012), 247
     Quantum dynamical study of low−energy photoelectron bands of 2−phenylethyl−N,N−dimethylamine

406. S. Faraji and H. Köppel
     J. Chem. Phys. 137 (2012), 22A531
     Multi−state interactions in the 1,2,3−trifluorobenzene radical cation

407. M. Eroms, M. Jungen and H.−D. Meyer
     J. Phys. Chem. A 116 (2012), 11140
     Vibronic coupling effects in resonat Auger spectra of H₂O

408. A. Deuchert, K. Sakmann, A. I. Streltsov, O. E. Alon and L. S. Cederbaum
     Phys. Rev. A86 (2012), 013618
     Dynamics and symmetries of a repulsively bound atom pair in an infinite optical lattice

409. Ph. V. Demekhin and L. S. Cederbaum
     Phys. Rev. Lett 108 (2012), 253001
     Dynamic interference of photoelectrons produced by high−frequency laser pulses

410. Ph. V. Demekhin and L. S. Cederbaum
     Phys. Rev. A 86 (2012), 063412
     Coherent intense resonant laser pulses lead to interference in the time domain seen in the spectrum of the emitted particles

411. D. Davis, V. P. Vysotskiy, Y. Sajeev and L. S. Cederbaum
     Angew. Chem. Int. Ed. 51 (2012), 8003
     A one−step four−bond−breaking reaction catalyzed by an electron

412. Y.−C. Chiang, F. Otto, H.−D. Meyer and L. S. Cederbaum
     J. Chem. Phys. 136 (2012), 114111
     Kinetic energy release in fragmentation processes following electron emission: A time−dependent approach

413. I. Brezinova, A. U. Lode, A. I. Streltsov, O. E. Alon, L. S. Cederbaum and J. Burgdörfer
     Phys. Rev. A86 (2012), 013630
     Wave chaos as signature for depletion of a Bose−Einstein condensate

414. S. Bhattacharya, A. Kirwai, A. N. Panda and H.−D. Meyer
     J. Chem. Sci 124 (2012), 65
     Full dimensional quantum scattering study of the H₂ + CN reaction

415. I. Baldea
     J. Am. Chem. Soc. 134 (2012), 7958
     Interpretation of stochastic events in single−molecule measurements of conductance and transition voltage spectroscopy

416. I. Baldea
     Chem. Phys. 400 (2012), 65
     Effects of stochastic fluctuations at molecule−electrode contacts in transition voltage spectroscopy

417. I. Baldea
     Europhys. Lett. 99 (2012), 47002
     Extending the Newns−Anderson model to allow nanotransport studies through molecules with floppy degrees of freedom

418. I. Baldea and H. Köppel
     Phys. Stat. Solidi (b) 249 (2012), 1791
     Transition voltage spectroscopy in vacuum break junction: the standard tunneling barrier model and beyond

419. I. Baldea
     Europhys. Lett. 98 (2012), 17010
     Transition voltage spectroscopy in vacuum break junction: Possible role of surface states

420. I. Baldea and H. Köppel
     Phys. Lett. A 376 (2012), 1645
     A physical limitation of the Wigner ``distribution'' function in molecular transport

421. I. Baldea and H. Köppel
     Phys. Lett. A 376 (2012), 1472
     Evidence on single−molecule transport in electrostatically−gated molecular transistors

422. I. Baldea
     J. Phys. Chem. Solids 73 (2012), 1151
     Transition voltage spectroscopy: Artefacts of the Simmons approach

423. I. Baldea
     Phys. Rev. B 85 (2012), 035442
     Ambipolar transition voltage spectroscopy: Analytical results and experimental agreement

424. V. Averbukh, L.S. Cederbaum, P.V. Demekhin, S. Scheit, P. Kolorenc, Y.−C. Chiang, K. Gokhberg, S. Kopelke, N.V. Kryzhevoi, A.I. Kuleff, N. Sisourat and S.D. Stoychev
     in: Dynamical Processes in Atomic and Molecular Physics, ed. G. Ogurtsov and D. Dowek, Bentham Science Publishers, Sharjah (2012)
     Interatomic Electronic Decay Processes in Clusters

425. O. E. Alon, A. I. Streltsov, K. Sakmann, A. U. J. Lode, J. Grond and L. S. Cederbaum
     Chem. Phys. 401 (2012), 2
     Recursive formulation of the multiconfigurational time−dependent Hartree Method for fermions, bosons and mixtures thereof in terms of one−body density operators

426. H.−D. Meyer
     WIREs Comp. Mol. Sci. 2 (2012), 351
     Studying molecular quantum dynamics with the multiconfiguration time−dependent Hartree method

427. V. P. Vysotskiy and L. S. Cederbaum
     J. Chem. Theory Comput. 7 (2011), 320
     Accurate quantum chemistry in single precision arithmetic: Correlation energy

428. O. Vendrell and H.−D. Meyer
     J. Chem. Phys. 134 (2011), 044135
     Multilayer multiconfiguration time−dependent Hartree method: Implementation and applications to a Henon−Heiles Hamiltonian and to pyrazine

429. Y. Velkov, T. Miteva, N. Sisourat and J. Schirmer
     J. Chem. Phys. 135 (2011), 154113
     Intermediate state representation approach to physical properties of dicationic states

430. A. I. Streltsov, O. E. Alon and L. S. Cederbaum
     Phys. Rev. Lett. 106 (2011), 240401
     Swift loss of coherence of soliton trains in attractive Bose−Einstein condensates

431. A. I. Streltsov, K. Sakmann, O. E. Alon and L. S. Cederbaum
     Phys. Rev. A 83 (2011), 043604
     Accurate multi−boson long−time dynamics in triple−well periodic traps

432. S. D. Stoychev, A. I. Kuleff and L. S. Cederbaum
     J. Am. Chem. Soc. 133 (2011), 6817
     Intermolecular Coulombic decay in small biochemically relevant hydrogen−bonded systems

433. M. Sindelka, N. Moiseyev and L. S. Cederbaum
     J. Phys. B 44 (2011), 045603
     Strong impact of light−induced conical intersections on the spectrum of diatomic molecules

434. M. Schröder, F. Gatti and H.−D. Meyer
     J. Chem. Phys. 134 (2011), 234307
     Theoretical studies of the tunneling splitting of malonaldehyde using the multiconfiguration time−dependent Hartree approach

435. K. Sakmann, A. I. Streltsov, O. E. Alon and L. S. Cederbaum
     Phys. Rev. A 84 (2011), 053622
     Number fluctuations of cold, spatially split bosonic objects

436. K. Sakmann, A. I. Streltsov, O. E. Alon and L. S. Cederbaum
     New J. Phys. 13 (2011), 043003
     Optimal time−dependent lattice models for nonequilibrium dynamics

437. K. Sakai, S. Stoychev, T. Ouchi, I. Higuchi, M. Schöffler, T. Mazza, H. Fukuzawa, K. Nagaya, M. Yao, Y. Tamenori, A. I. Kuleff, N. Saito and K. Ueda
     Phys. Rev. Lett. 106 (2011), 033401
     Electron−transfer−mediated decay and interatomic Coulombic decay from the triply ionized states in argon dimers

438. W. Pokapanich, N. V. Kryzhevoi, N. Ottosson, S. Svensson, L. S. Cederbaum, G. Öhrwall and O. Björneholm
     J. Am. Chem. Soc. 133 (2011), 13430
     Ionic−charge dependence of the intermolecular Coulombic decay time scale for aqueous ions probed by the core−hole clock

439. M. Pernpointner, A. I. Kuleff and L. S. Cederbaum
     in: Modeling of Molecular Properties, ed. P. Comba, Wiley, Weinheim (2011)
     Tracing Ultrafast Electron Dynamics by Modern Propagator Approaches

440. T. Ouchi, K. Sakai, H. Fukuzawa, I. Higuchi, Ph. V. Demekhin, Y.−C. Chiang, S. D. Stoychev, A. I. Kuleff, T. Mazza, M. Schöffler, K. Nagaya, M. Yao, Y. Tamenori, N. Saito and K. Ueda
     Phys. Rev. A 83 (2011), 053415
     Interatomic Coulombic decay following Ne 1s Auger decay in NeAr

441. T. Ouchi, K. Sakai, H. Fukuzawa, X.−J. Liu, I. Higuchi, Y. Tamenori, K. Nagaya, H. Iwayama, M. Yao, D. Zhang, D. Ding, A. I. Kuleff, S. D. Stoychev, Ph. V. Demekhin, N. Saito and K. Ueda
     Phys. Rev. Lett. 107 (2011), 053401
     Three−electron interatomic Coulombic decay from the inner−valence double−vacancy states in NeAr

442. B. Nikoobakht, H. Köppel, E. Gindensperger and L. S. Cederbaum
     J. Chem. Phys. 135 (2011), 174110
     Efficient computation of adiabatic populations in multi−mode Jahn−Teller systems through the use of effective vibrational modes

443. A. I. Kuleff and L. S. Cederbaum
     Phys. Rev. Lett. 106 (2011), 053001
     Radiation generated by the ultrafast migration of a positive charge following the ionization of a molecular system

444. N. V. Kryzhevoi and L. S. Cederbaum
     J. Phys. Chem. B 115 (2011), 5441
     Nonlocal effects in the core ionization and Auger spectra of small ammonia clusters

445. N. V. Kryzhevoi and L. S. Cederbaum
     Angew. Chem. Int. Ed 50 (2011), 1306
     Using pH value to control intermolecular electronic decay

446. N. V. Kryzhevoi, R. Santra and L. S. Cederbaum
     J. Chem. Phys. 135 (2011), 084302
     Inner−shell single and double ionization potentials of aminophenol isomers

447. H. Köppel, L.S. Cederbaum and S. Mahapatra
     in: Handbook of high resolution spectroscopy, ed. M. Quack and F. Merkt, Wiley, Chichester (2011)
     Theory of the Jahn−Teller effect

448. S. Kopelke, K. Gokhberg, V. Aberbukh, F. Tarantelli and L. S. Cederbaum
     J. Chem. Phys. 134 (2011), 094107
     Ab initio interatomic decay widths of excited states by applying Stieltjes imaging to Lanczos pseudospectra

449. S. Kopelke, K. Gokhberg, L. S. Cederbaum, F. Tarantelli and V. Averbukh
     J. Chem. Phys. 134 (2011), 024106
     Autoionization widths by Stieltjes imaging applied to Lanczos pseudospectra

450. M. Kayanuma, C. Daniel, H. Köppel and E. Gindensperger
     Coord. Chem. Reviews 255 (2011), 2693
     Photophysics of isomerizable Re(I) complexes: A theoretical analysis

451. D. M. P. Holland, A. W. Potts, L. Karlsson, I. L. Zaytseva, A. B. Trofimov, E. V. Gromov and J. Schirmer
     J. Phys. B 43 (2011), 135101
     The experimental and theoretical study of the valence shell photoelectron spectrum of bromochlorofluoromethane

452. A. S. K. Hashmi, A. M. Schuster, S. Litters, F. Rominger and M. Pernpointner
     Chem. Eur. J. 17 (2011), 5661
     Gold Catalysis: 1,3−Oxazines by Cyclisation of Allene Amides

453. A. S. K. Hashmi, M. Pernpointner and M. M. Hansmann
     Faraday Discuss. 152 (2011), 179
     Theoretical insights into the superior activity of gold catalysts and reactions of organogold intermediates with electrophiles

454. G. Halász, A. Papp, E. Gindensperger, H. Köppel and A. Vibók
     Prog. Theor. Chem. Phys. 16 (2011), 287
     Short−time dynamics through conical intersections in macrosystems: Quadratic coupling extension

455. G. J. Halász, Á. Vibók, M. Sindelka, N. Moiseyev and L. S. Cederbaum
     J. Phys. B 44 (2011), 175102
     Conical intersections induced by light: Berry phase and wave packet dynamics

456. E. V. Gromov, I Burghardt, H. Köppel and L. S. Cederbaum
     J. Phys. Chem. A 115 (2011), 9237
     Photoinduced isomerization of the photoactive yellow protein (PYP) chromophore: Interplay of two torsions, a HOOP mode and hydrogen bonding

457. E. V. Gromov, C. Lévêque, F. Gatti, I. Burghardt and H. Köppel
     J. Chem. Phys. 135 (2011), 164305
     Ab initio quantum dynamical study of photoinduced ring−opening in furan

458. S. Gomez−Carrasco and H. Köppel
     Faraday Discuss. 150 (2011), 156−158
     Theoretical treatment of five strongly coupled electronic states of formaldehyde

459. S. Faraji, S. Gómez−Carrasco and H. Köppel
     in: Conical Intersections: Theory, Computation and Experiment, ed. W. Domcke and D.R. Yarkony and H. Köppel, World Scientific, Singapore (2011)
     Multistate vibronic dynamics and multiple conical intersections

460. S. Faraji, M. Vazdar, V. S. Reddy, M. Eckert−Maksic, H. Lischka and H. Köppel
     J. Chem. Phys. 135 (2011), 154310
     Ab initio quantum dynamical study of the multi−state nonadiabatic photodissociation of pyrrole

461. T. Ernst, D. W. Hallwood, J. Gulliksen, H.−D. Meyer and J. Brand
     Phys. Rev. A 84 (2011), 023623
     Simulating strongly correlated multiparticle systems in a truncated Hilbert space

462. A. D. Dutoi and L. S. Cederbaum
     J. Phys. Chem. Lett. 2 (2011), 2300
     An excited electron avoiding a positive charge

463. A. D. Dutoi, M. Wormit and L. S. Cederbaum
     J. Chem. Phys. 134 (2011), 024303
     Ultrafast charge separation driven by differential particle and hole mobilities

464. R. Döpp, C. Lothschütz, T. Wurm, M. Pernpointner, S. Keller, F. Rominger and A. S. K. Hashmi
     Organometallics 30 (2011), 5894
     Gold Catalysis: Hydrolysis of Di(alkoxy)carbenium Ion Intermediates as a Sensor for the Electronic Properties of Gold(I) Complexes.

465. W. Domcke, D.R. Yarkony and H. Köppel, eds.
     Conical Intersections: Theory, Computation and Experiment,
     World Scientific, Singapore (2011)
     

466. Ph. V. Demekhin, S. D. Stoychev, A. I. Kuleff and L. S. Cederbaum
     Phys. Rev. Lett. 107 (2011), 273002
     Exploring interatomic Coulombic decay by free electron lasers

467. Ph. V. Demekhin, Y.−C. Chiang and L. S. Cederbaum
     Phys. Rev. A 84 (2011), 033417
     Resonant Auger decay of the core−excited C*O molecule in intense x−ray laser fields

468. Ph. V. Demekhin and L. S. Cederbaum
     Phys. Rev. A 83 (2011), 023422
     Strong interference effects in the resonant Auger decay of atoms induced by intense x−ray fields

469. D. Davis, V. P. Vysotskiy, Y. Sajeev and L. S. Cederbaum
     Angew. Chem. Int. Ed. 50 (2011), 4119
     Electron impact catalytic dissociation: Two−bond breaking by a low−energy catalytic electron

470. Y.−C. Chiang, F. Otto, H.−D. Meyer and L. S. Cederbaum
     Phys. Rev. Lett. 107 (2011), 173001
     Interrelation between the distributions of kinetic energy release and emitted electron energy following the decay of electronic states

471. L. S. Cederbaum, Y.−C. Chiang, Ph. V. Demekhin and N. Moiseyev
     Phys. Rev. Lett. 106 (2011), 123001
     Resonant Auger decay of molecules in intense x−ray laser fields: Light−induced strong nonadiabatic effects

472. I. Burghardt, K. Hughes, R. Martinazzo, H. Tamura, E. Gindensperger, H. Köppel and L. S. Cederbaum
     in: Conical Intersections: Theory, Computation and Experiment, ed. W. Domcke and D.R. Yarkony and H. Köppel, World Scientific, Singapore (2011)
     Conical Intersections coupled to an Environment

473. L. Blancafort, F. Gatti and H.−D. Meyer
     J. Chem. Phys. 135 (2011), 134303
     Quantum dynamics study of fulvene double bond photoisomerization: The role of intramolecular vibrational energy redistribution and excitation energy

474. S. Bhattacharya, A. N. Panda and H.−D. Meyer
     J. Chem. Phys. 135 (2011), 194302
     Cross sections and rate constants for OH+H₂ reaction on three different potential energy surfaces for ro−vibrational excited reagents

475. V. G. Bezchastnov, V. P. Vysotskiy and L. S. Cederbaum
     Phys. Rev. Lett. 107 (2011), 133401
     Anions of xenon clusters bound by long−range correlations

476. A. Bande, K. Gokhberg and L. S. Cederbaum
     J. Chem. Phys. 135 (2011), 144112
     Dynamics of interatomic Coulombic decay in quantum dots

477. I. Baldea and H. Köppel
     Phys. Rev. B 84 (2011), 037305
     Reply to "Comment on 'Critical analysis of a variational method used to describe molecular electron transport'"

478. V. Averbukh, Ph. V. Demekhin, P. Kolorenc, S. Scheit, S. D. Stoychev, A. I. Kuleff, N. Sisourat and L. S. Cederbaum
     J. Electron Spectrosc. 183 (2011), 36
     Interatomic electronic decay processes in singly and multiply ionized clusters

479. R. Xu, G. Klatt, H. Wadepohl and H. Köppel
     Inorg. Chem. 49 (2010), 3289
     Hydrogen scrambling in [(C₅R₅)(L)M(H)(C₂H₄)]+ (M=Co, Rh). Relation of experimental kinetic data to the barriers of the elementary reaction steps

480. V. P. Vysotskiy and L. S. Cederbaum
     J. Chem. Phys. 132 (2010), 044110
     On the Cholesky decomposition for electron propagator methods: General aspects and application on C₆₀

481. O. Vendrell, S. D. Stoychev and L. S. Cederbaum
     ChemPhysChem 11 (2010), 1006
     Generation of highly damaging H₂O⁺ radicals by inner valence shell ionization of water

482. M. C. Tsatsos, A. I. Streltsov, O. E. Alon and L. S. Cederbaum
     Phys. Rev. A 82 (2010), 033613
     Fragmented many−body states of definite angular momentum and stability of attractive three−dimensional condensates

483. M. Tashiro, M. Ehara, H. Fukuzawa, K. Ueda, Ch. Buth, N. V. Kryzhevoi and L. S. Cederbaum
     J. Chem. Phys. 132 (2010), 184302
     Molecular double core hole electron spectroscopy for chemical analysis

484. A. I. Streltsov, O. E. Alon and L. S. Cederbaum
     Phys. Rev. A 81 (2010), 022124
     General mapping for bosonic and fermionic operators in Fock space

485. S. D. Stoychev, A. I. Kuleff and L. S. Cederbaum
     J. Chem. Phys. 133 (2010), 154307
     On the intermolecular Coulombic decay of singly and doubly ionized states of water dimer

486. T. Sommerfeld, B. Bhattarai, V. P. Vysotkiy and L. S. Cederbaum
     J. Chem. Phys. 133 (2010), 114301
     Correlation−bound anions of NaCl Clusters

487. N. Sisourat, N. V. Kryzhevoi, P. Kolorenc, S. Scheit, T. Jahnke and L. S. Cederbaum
     Nature Physics 6 (2010), 508
     Ultralong−range energy transfer by interatomic Coulombic decay in an extreme quantum system

488. N. Sisourat, H. Sann, N. V. Kryzhevoi, P. Kolorenc, T. Havermeier, F. Sturm, T. Jahnke, H.−K. Kim, R. Dörner and L. S. Cederbaum
     Phys. Rev. Lett. 105 (2010), 173401
     Interatomic electronic decay driven by nuclear motion

489. N. Sisourat, N. V. Kryzhevoi, P. Kolorenc, S. Scheidt and L. S. Cederbaum
     Phys. Rev. A 82 (2010), 053401
     Impact of nuclear dynamics on interatomic Coulombic decay in He dimer

490. J. Schirmer
     Phys. Rev. A 82 (2010), 052510
     Modifying the variational principle in the action−integral−functional derivation of time−dependent density−functional theory

491. K. Sakmann, A. I. Streltsov, O. E. Alon and L. S. Cederbaum
     Phys. Rev. A 82 (2010), 013620
     Quantum dynamics of attractive versus repulsive Josephson junctions: Bose−Hubbard and full−Hamiltonian results

492. M. Pernpointner
     J. Phys. B 43 (2010), 205102
     The four−component two−particle propagator for the calculation of double ionization spectra of heavy−element compounds: I. Method

493. S. A. Ndengue, F. Gatti, R. Schinke, H.−D. Meyer and R. Jost
     J. Phys. Chem. A 114 (2010), 9855
     Absorption cross section of ozone Isotopologues calculated with the multiconfiguration time−dependent Hartree (MCTDH) method: I. The Hartley and Huggins bands

494. S. Mark, A. Kurek, R. Mülhaupt, R. Xu, G. Klatt, H. Köppel and M. Enders
     Angew. Chem. Int. Ed. 49 (2010), 8751
     Hydridoboranes as modifiers for single−site organochromium catalysts: from low− to ultrahigh−molecular−weight polyethylene

495. A. U. J. Lode, A. I. Streltsov, O. E. Alon, H.−D. Meyer and L. S. Cederbaum
     J. Phys. B 43 (2010), 029802
     Corrigendum: Exact decay and tunnelling dynamics of interacting few−boson systems

496. B. Lasorne, M. A. Robb, H.−D. Meyer and F. Gatti
     Chem. Phys. 377 (2010), 30
     The electronic excited states of ethylene with large−amplitude deformations: A dynamical symmetry group investigation

497. A. I. Kuleff, S. Lünnemann and L. S. Cederbaum
     J. Phys. Chem. A. 114 (2010), 8676
     Ultrafast charge migration following valence ionization of 4−Methylphenol: Jumping over the aromatic ring

498. A. I. Kuleff, K. Gokhberg, S. Kopelke and L. S. Cederbaum
     Phys. Rev. Lett. 105 (2010), 043004
     Ultrafast interatomic electronic decay in multiply excited clusters

499. C. M. Krauter, A. S. K. Hashmi and M. Pernpointner
     ChemCatChem. 2 (2010), 1226
     New insight into gold(I)−catalyzed hydration of alkynes: proton transfer

500. P. Kolorenc, N. V. Kryzhevoi, N. Sisourat and L. S. Cederbaum
     Phys. Rev. A 82 (2010), 013422
     Interatomic Coulombic decay in a He dimer: Ab initio potential energy curves and decay widths

501. E. V. Gromov, A. B. Trofimov, F. Gatti and H. Köppel
     J. Chem. Phys. 133 (2010), 164309
     Theoretical study of photoinduced ring−opening in furan

502. S. Gómez−Carrasco, T. Müller and H. Köppel
     J. Phys. Chem. A 114 (2010), 11436
     Ab initio study of the VUV−induced multistate photodynamics of formaldehyde

503. K. Gokhberg and L. S. Cederbaum
     Phys. Rev. A 82 (2010), 052707
     Interatomic Coulombic electron capture

504. K. Gokhberg, S. Kopelke, N. V. Kryzhevoi, P. Kolorenc and L. S. Cederbaum
     Phys. Rev. A 81 (2010), 013417
     Dependence of interatomic decay widths on the symmetry of the decaying state: Analytical expressions and ab initio results

505. E. Gindensperger, H. Köppel and C. Daniel
     Chem. Commun. 46 (2010), 8225
     Mechanism of visible−light photoisomerization of a rhenium(I) carbonyl−diimine complex

506. V. Feyer, O. Plekan, R. Richter, M. Coreno, M. de Simone, K. C. Prince, A. B. Trofimov, I. L. Zaytseva and J. Schirmer
     J. Phys. Chem. A 114 (2010), 10270
     Tautomerism in cytosine and uracil: A theoretical and experimental X−ray absorption and resonant Auger study

507. E. Faßhauer, N. V. Kryzhevoi and M. Pernpointner
     J. Chem. Phys. 133 (2010), 014303
     Possible electronic decay channels in the ionization spectra of small clusters composed of Ar and Xe: A four−component relativistic treatment

508. M. Eroms, M. Jungen and H.−D. Meyer
     J. Phys. Chem. A 114 (2010), 9893
     Nonadiabatic Nuclear Dynamics after Valence Ionization of H₂O

509. A. D. Dutoi, L. S. Cederbaum, M. Wormit, J. H. Starcke and A. Dreuw
     J. Chem. Phys. 132 (2010), 144302
     Tracing molecular electronic excitation dynamics in real time and space

510. Y.−C. Chiang, P. V. Demekhin, A. I. Kuleff, S. Scheit and L. S. Cederbaum
     Phys. Rev. A 81 (2010), 032511
     Linewidth and lifetime of atomic levels and the time evolution of spectra and coincidence spectra

511. M. Brill, O. Vendrell and H.−D. Meyer
     in: High Performance Computing in Science and Engineering 09, ed. W. E. Nagel and D. B. Kröner and M. Resch, Springer, Heidelberg (2010)
     Distributed Memory Parallelisation of the Multi−Configuration Time−Dependent Hartree Method

512. S. Bhattacharya, A. N. Panda and H.−D. Meyer
     J. Chem. Phys. 132 (2010), 214304
     Multiconfiguration time−dependent Hartree approach to study the OH+H₂ reaction

513. V. G. Bezchastnov, M. Pernpointner, P. Schmelcher and L. S. Cederbaum
     Phys. Rev. A 81 (2010), 062507
     Nonadditivity and anisotropy of the polarizability of clusters: Relativistic finite−field calculations for the Xe dimer

514. I. Baldea, H. Köppel and L. S. Cederbaum
     Phys. Stat. Solidi C7 11-12 (2010), 2671
     Characterization of assembled quantum dots and single−electron transistors by photoemission and photoabsorption

515. I. Baldea and L. S. Cederbaum
     in: Handbook of Nanophysics (Nanotubes and Nanowires), ed. K. Sattler, Taylor and Francis, Boca Raton (2010)
     Quantum−dot nanorings

516. I. Bâldea and H. Köppel
     Phys. Rev. B 81 (2010), 193401
     Sources of negative differential resistance in electric nanotransport

517. I. Baldea
     Chem. Phys. 377 (2010), 15
     Revealing molecular orbital gating by transition voltage spectroscopy

518. I. Bâldea and H. Köppel
     Phys. Rev. B 81 (2010), 125322
     Single−electron transistors studied by microwave and far−infrared absorption: Theoretical results and experimental proposal

519. I. Bâldea and H. Köppel
     Phys. Rev. B 82 (2010), 087302
     Reply to ''Comment on 'Electron transport through correlated molecules computed using the time−independent Wigner function: two critical tests' ''

520. I. Bâldea, H. Köppel, R. Maul and W. Wenzel
     J. Chem. Phys. 133 (2010), 014108
     Applying the extended molecule approach to correlated electron transport: Important insight from model calculations

521. A. I. Kuleff, S. Lünnemann and L. S. Cederbaum
     in: Ultrafast Phenomena XVI, ed. P. Corkum and S. De Silvestri and K. Nelson and E. Riedle and R. W. Schoenlein, Springer, (2009)
     Ultrafast charge migration following ionization in oligopeptides

522. I. L. Zaytseva, A. B. Trofimov, J. Schirmer, O. Plekan, V. Feyer, R. Richter, M. Coreno and K. C. Prince
     J. Phys. Chem. A 113 (2009), 15142
     Theoretical and experimental study of valence−shell ionization spectra of guanine

523. Y. Sajeev, V. Vysotskiy, L. S. Cederbaum and N. Moiseyev
     J. Chem. Phys. 131 (2009), 211102
     Continuum remover−complex absorbing potential: Efficient removal of the nonphysical stabilization points

524. G. A. Worth, H. Köppel, E. Gindensperger and L. S. Cederbaum
     in: Multidimensional Quantum Dynamics: MCTDH Theory and Applications, ed. H.-D. Meyer and F. Gatti and G. A. Worth, Wiley−VCH, Weinheim (2009)
     Multidimensional non−adiabatic dynamics

525. S. Woittequand, C. Toubin, M. Monerville, S. Briquez, B. Pouilly and H.−D. Meyer
     J. Chem. Phys. 131 (2009), 194303
     Multiconfiguration time−dependent Hartree and classical dynamics studies of the photodissociation of HF and HCL molecules adsorbed on ice: Extension to three dimensions

526. S. Woittequand, D. Duflot, M. Monnerville, B. Pouilly, C. Toubin, S. Briquez and H.−D. Meyer
     J. Chem. Phys 131 (2009), 049905
     Erratum: ``Classical and quantum studies of the photodissociation of a HX (X = Cl, F) molecule adsorbed on ice'' [J. Chem. Phys. 127, 164717 (2007)]

527. D. B. Werz, G. Klatt, J. A. Raskatov, H. Köppel and R. Gleiter
     Organometallics 28 (2009), 1675−1682
     CpCo−Mediated Reactions of Cyclopropenones: A DFT Study

528. C. Wang, P. G. Kevrekidis, N. Whitaker, D. J. Frantzeskakis, S. Middelkamp and P. Schmelcher
     Physica D 238 (2009), 1362−1371
     Bose−Einstein Condensates in Collisionally Inhomogeneous Double Well Potentials

529. C. Wang, P. G. Kevrekidis, N. Whitaker, T. J. Alexander, E. A. Ostrovskaya, Yu. S. Kivshar, D. Frantzeskakis and P. Schmelcher
     J. Phys. A 42 (2009), 035201
     Spinor Condensates in Double Well Potentials

530. O. Vendrell, F. Gatti and H.−D. Meyer
     Angew. Chem. Int. Ed. 48 (2009), 352
     Strong Isotope Effects in the Infrared Spectrum of the Zundel Cation

531. O. Vendrell, M. Brill, F. Gatti, D. Lauvergnat and H.−D. Meyer
     J. Chem. Phys. 130 (2009), 234305
     Full dimensional (15D) quantum−dynamical simulation of the protonated water dimer III: mixed Jacobi−valence parametrization and benchmark results for the zero−point energy, vibrationally excited states and infrared spectrum

532. O. Vendrell, F. Gatti and H.−D. Meyer
     J. Chem. Phys. 131 (2009), 034308
     Full dimensional (15D) quantum−dynamical simulation of the protonated water dimer IV: Isotope effects in the infrared spectra of D(D₂O)₂⁺, H(D₂O)₂⁺ and D(H₂O)₂⁺ isotopologues

533. A. I. Streltsov, O. E. Alon and L. S. Cederbaum
     J. Phys. B 42 (2009), 091004
     Efficient generation and properties of mesoscopic quantum superposition states in an attractive Bose−Einstein condensate threaded by a potential barrier

534. J. Seibt, T. Winkler, K. Renziehausen, V. Dehm, F. Würthner, H.−D. Meyer and V. Engel
     J. Phys. Chem. 113 (2009), 13475
     Vibronic transitions and quantum dynamics in molecular oligomers: A theoretical analysis with an application to aggregates of perylene bisimides

535. J. Schirmer and F. Mertins
     Theor. Chem. Acc. 125 (2009), 145
     Review of biorthogonal coupled cluster representations for electronic excitation

536. R. Santra, N. V. Kryzhevoi and L. S. Cederbaum
     Phys. Rev. Lett. 103 (2009), 013002
     X−Ray two−photon photoelectron spectroscopy: A theoretical study of inner−shell spectra of the organic para−aminophenol molecule

537. K. Sakmann, A. I. Streltsov, O. E. Alon and L. S. Cederbaum
     Phys. Rev. Lett. 103 (2009), 2206011
     Exact quantum dynamics of a Bosonic Josephson Junction

538. W. Pokapanich, H. Bergersen, I. L. Bradeanu, R. R. T. Marinho, A. Lindblad, S. Legendre, A. Rosso, S. Svensson, O. Björneholm, M. Tchaplyguine, G.Öhrwall, N. V. Kryzhevoi and L. S. Cederbaum
     J. Am. Chem. Soc. 131 (2009), 7264
     Auger electron spectroscopy as a probe of the solution of aqueous ions

539. O. Plekan, V. Feyer, R. Richter, M. Coreno, G. Vall−Illosera, K. C. Prince, A. B. Trofimov nd I. L. Zaytseva, T. E. Moskovskaya, E. V. Gromov and J. Schirmer
     J. Phys. Chem. A 113 (2009), 9376
     An experimental and theoretical core−level study of tautomerism in guanine

540. M. Pernpointner and A. S. K. Hashmi
     J. Chem. Theory Comput. 5 (2009), 2717
     A fully relativistic, comparative investigation of gold and platinum alkyne complexes of relevance for the catalysis of nucleophilic additions to alkynes

541. M. Pernpointner, T. Rapps and L. S. Cederbaum
     J. Chem. Phys. 131 (2009), 044322
     Jahn−Teller distortions in the photodetachment spectrum of PtCl : A four−component relativistic study

542. F. Otto, F. Gatti and H.−D. Meyer
     J. Chem. Phys. 131 (2009), 049901
     Erratum: ``Rotational excitations in para−H₂ + para−H₂ collisions: Full− and reduced−dimensional quantum wave packet studies comparing different potential energy surfaces''

543. P. Ottiger, S. Leutwyler and H. Köppel
     J. Chem. Phys. 131 (2009), 204308
     S1/S2 excitonic splittings and vibronic coupling in the excited state of the jet−cooled 2−aminopyridine dimer

544. B. S. Monozon and P. Schmelcher
     Phys. Rev. B 79 (2009), 165314
     Resonant Franz−Keldysh Exciton Effect in a Narrow Biased Quantum Wire in the Presence of Strong Magnetic Fields

545. H.−D. Meyer, F. Gatti and G. A. Worth, eds.
     Multidimensional Quantum Dynamics: MCTDH Theory and Applications,
     Wiley−VCH, Weinheim (2009)
     

546. M. Mayle, I. Lesanovsky and P. Schmelcher
     Phys. Rev. A (R) 79 (2009), 041403
     Mapping the Composite Character of Magnetically Trapped Rydberg Atoms

547. S. Lünnemann, A. I. Kuleff and L. S. Cederbaum
     J. Chem. Phys. 130 (2009), 154305
     Ultrafast electron dynamics following outer−valence ionization: The impact of low−lying relaxation satellite states

548. A. U. J. Lode, A. I. Streltsov, O. E. Alon, H.−D. Meyer and L. S. Cederbaum
     J. Phys. B 42 (2009), 044018
     Exact decay and tunneling dynamics of interacting few boson systems

549. A. I. Kuleff and A. Dreuw
     J. Chem. Phys. 130 (2009), 034102
     Theoretical description of charge migration with a single Slater−determinant and beyond

550. N. V. Kryzhevoi and L. S. Cederbaum
     J. Chem. Phys. 130 (2009), 084302
     Core ionization of Na+ microsolvated in water and ammonia

551. K. Kreidi, P. V. Demekhin, T. Jahnke, T. Weber, T. Havermeier, X.−J. Liu, Y. Morisita, S. Schössler, L. P. H. Schmidt, M. Schöffler, M. Odenweller, N. Neumann, L. Foucar, J. Titze, B. Ulrich, F. Sturm, C. Stuck, R. Wallauer, S. Voss, I. Lauter, H. K. Kim, M. Rudloff, H. Fukuzawa, G. Prümper, N. Saito, K. Ueada, A. Czasch, O. Jagutzki, H. Schmidt−Böcking, S. Scheit, L. S. Cederbaum and R. Dörner
     Phys. Rev. Lett. 103 (2009), 033001
     Photo− and Auger−electron recoil induced dynamics of interatomic Coulombic decay

552. H. Köppel, H. Barentzen and D. R. Yarkony, eds.
     The Jahn−Teller Effect: Fundamentals and Applications in Physics and Chemistry, Springer Series in Chemical Physics 97
     Springer, Heidelberg (2009)
     

553. S. Kopelke, K. Gokhberg, L. S. Cederbaum and V. Averbukh
     J. Chem. Phys. 130 (2009), 144103
     Calculation of resonant interatomic Coulombic decay widths of inner−valence−excited states delocalized due to inversion symmetry

554. R. Gonzalez−Ferez and P. Schmelcher
     New J. Phys. 11 (2009), 055013
     Impact of Electric Fields on Highly Excited Rovibrational States of Polar Dimers

555. K. Gokhberg and L. S. Cederbaum
     J. Phys. B 42 (2009), 231001
     Environment assisted electron capture

556. K. Gokhberg, V. Vysotskiy, L. S. Cederbaum, L. Storchi, F. Tarantelli and V. Averbukh
     J. Chem. Phys. 130 (2009), 064104
     Molecular photoionization cross sections by Stieltjes−Chebyshev moment theory applied to Lanczos pseudospectra

557. V. Feyer, O. Plekan, R. Richter, M. Coreno, G. Vall−Illosera, K. C. Prince, A. B. Trofimov, I. L. Zaytseva, T. E. Moskovskaya, E. V. Gromov and J. Schirmer
     J. Phys. Chem. A 113 (2009), 5736
     Tautomerism in Cytosin and Uracil: An experimental and theoretical core level spectroscopic study

558. S. Faraji, E. Gindensperger and H. Köppel
     Springer Series in Chemical Physics 97 (2009), 239−276
     Multi−mode Jahn−Teller and pseudo Jahn−Teller effects in benzenoid cations

559. M. Eroms, O. Vendrell, M. Jungen, H.−D. Meyer and L. S. Cederbaum
     J. Chem. Phys 130 (2009), 154307
     Nuclear dynamics during the resonant Auger decay of water molecules

560. M. Eckart, R. Walser, W. P. Schleich, S. Zöllner and P. Schmelcher
     New J. Phys. 11 (2009), 023010
     The granularity of weakly occupied bosonic fields beyond the local density approximation

561. Ph. V. Demekhin, S. Scheit and L. S. Cederbaum
     J. Chem. Phys. 131 (2009), 164301
     Recoil by Auger electrons: Theory and application

562. Ph. V. Demekhin, Y.−C. Chiang, S. D. Stoychev, P. Kolorenc, S. Scheit, A. I. Kuleff, F. Tarantelli and L. S. Cederbaum
     J. Chem. Phys. 131 (2009), 104303
     Interatomic Coulombic decay and its dynamics in NeAr following K−LL Auger transition in the Ne atom

563. L. S. Cederbaum and M. Basler
     Phys. Rev. Lett. 103 (2009), 133001
     Exploring nonadiabatic effects by recoil of fast photoelectrons

564. M. Brill, O. Vendrell and H.−D. Meyer
     in: Advances in the Theory of Atomic and Molecular Systems, ed. P. Piecuch and J. Maruani and G. Delgado-Barrio and S: Wilson, Springer Verlag, (2009)
     Shared memory parallelization of the multiconfiguration time−dependent Hartree method and application to the dynamics and spectroscopy of the protonated water dimer

565. I. Baldea, L. S. Cederbaum and J. Schirmer
     Eur. Phys. J. B 69 (2009), 251
     Intriguing electron correlation effects in the photoionization of metallic quantum−dot nanorings

566. I. Baldea and H. Köppel
     Phys. Rev. B 79 (2009), 165317
     Studying the Single−Electron Transistor by Photoionization

567. I. Baldea and H. Köppel
     Phys. Rev. B 80 (2009), 165301
     Critical analysis of a variational method used to describe molecular electronic transport

568. T. Amthor, J. Denskat, C. Giese, N. N. Bezuglov, A. Ekers, L. S. Cederbaum and M. Weidemüller
     Eur. Phys. J. D 53 (2009), 329
     Autoionization of an ultracold Rydberg gas through resonant dipole coupling

569. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
     in: Multidimensional Quantum Dynamics: MCTDH Theory and Applications, ed. H.-D. Meyer and F. Gatti and G. A. Worth, Wiley−VCH, Weinheim (2009)
     The multiconfigurational time−dependent Hartree method for identical particles and mixtures thereof

570. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
     Phys. Lett. A 373 (2009), 301
     Build−up of coherence between initially−independent subsystems: The case of Bose−Einstein condensates

571. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
     Phys. Rev. A 79 (2009), 022503
     Many−body theory for systems with particle conversion: Extending the multiconfigurational time−dependent Hartree method

572. S. Zöllner, H.−D. Meyer and P. Schmelcher
     Phys. Rev. Lett. 100 (2008), 040401
     Few−Boson Dynamics in Double Wells: From Single−Atom to Correlated Pair Tunneling

573. S. Zöllner, H.−D. Meyer and P. Schmelcher
     Phys. Rev. A 78 (2008), 013629
     Composite fermionization of one−dimensional Bose−Bose mixtures

574. S. Zöllner, H.−D. Meyer and P. Schmelcher
     Phys. Rev. A 78 (2008), 013621
     Tunneling dynamics of a few bosons in a double well

575. R. Xu, M. Bittner, G. Klatt and H. Köppel
     J. Phys. Chem. A 112 (2008), 13139−13148
     Influence of Ligands on the Dynamics of Hydrogen Elimination in Cationic Complexes of Co and Rh

576. G. A. Worth, H.−D. Meyer, H. Köppel and L. S. Cederbaum
     Int. Rev. in Phys. Chem. 27 (2008), 569
     Using the MCTDH wavepacket propagation method to describe multimode non−adiabatic dynamics

577. O. Vendrell and H.−D. Meyer
     Phys. Chem. Chem. Phys 10 (2008), 4692
     A proton between two waters: insight from full−dimensional quantum−dynamics simulations of the [H₂O−H−OH₂]⁺ cluster

578. E. Tempfli, S. Zöllner and P. Schmelcher
     New J. Phys. 10 (2008), 103021
     Excitations of attractive 1D bosons: binding versus fermionization

579. A. I. Streltsov, O. E. Alon and L. S. Cederbaum
     Phys. Rev. Lett. 100 (2008), 130401
     Formation and dynamics of many−boson fragmented states in one−dimensional attractive ultracold gases

580. S. D. Stoychev, A. I. Kuleff, F. Tarantelli and L. S. Cederbaum
     J. Chem. Phys. 129 (2008), 074307
     On the interatomic electronic processes following Auger decay in neon Dimer

581. S. D. Stoychev, A. I. Kuleff and L. S. Cederbaum
     J. Chem. Phys. 128 (2008), 014307
     On the doubly ionized states of Ar₂ and their intra− and interatomic decay to Ar₂³⁺

582. J. Schirmer and A. Dreuw
     Phys. Rev. A 78 (2008), 056502 1−4
     Reply to "Comment on 'Critique of the foundations of time−dependent density−functional theory'"

583. K. Sakmann, A. I. Streltsov, O. E. Alon and L. S. Cederbaum
     Phys. Rev. A. 78 (2008), 023615
     Reduced density matrices and coherence of trapped interacting bosons

584. S. Saeidian, V. S. Melezhik and P. Schmelcher
     Phys. Rev. A 77 (2008), 042721
     Multi−Channel Atomic Scattering and Confinement−Induced Resonances in Waveguides

585. A. S. Rodrigues, P. G. Kevrekidis, M. A. Porter, D. J. Frantzeskakis, P. Schmelcher and A. R. Bishop
     Phys. Rev. A 78 (2008), 013611
     Matter Wave Solitons of Condensates with Piecewise Constant Scattering Lengths

586. O. Plekan, V. Feyer, R. Richter, M. Coreno, M. de Simone, K. C. Prince, A. B. Trofimov, E. V. Gromov, I. L. Zaytseva and J. Schirmer
     Chem. Phys. 347 (2008), 360−375
     A theoretical and experimental study of the near edge X−ray absorption fine structure (NEXAFS) and X−ray photoelectron spectra (XPS) of nucleobases: Thymine and adenine

587. M. Pernpointner, T. Rapps and L. S. Cederbaum
     J. Chem. Phys. 129 (2008), 174302
     Photodetachment spectra of the PtX₄²⁻, (X=F, Cl, Br) dianions and their Jahn−Teller distortions: a fully relativistic study.

588. M. Pernpointner, N. V. Kryzhevoi and S. Urbaczek
     J. Chem. Phys. 129 (2008), 024304
     Possible electronic decay channels in the ionization spectra of small clusters composed of Ar and Kr: A four−component relativistic treatment.

589. G. Pasin, C. Iung, F. Gatti, F. Richter, C. Leonard and H.−D. Meyer
     J. Chem. Phys. 129 (2008), 144304
     Theoretical investigation of intramolecular vibrational energy redistribution in HFCO and DFCO induced by an external field

590. Frank Otto, Fabien Gatti and Hans−Dieter Meyer
     J. Chem. Phys. 128 (2008), 064305
     Rotational excitations in para−H₂+para−H₂ collisions: Full− and reduced−dimensional quantum wave packet studies comparing different potential energy surfaces

591. N. Moiseyev, M. Sindelka and L. S. Cederbaum
     J. Phys. B 41 (2008), 221001
     Laser−induced conical intersections in molecular optical lattices

592. S. Middelkamp, I. Lesanovsky and P. Schmelcher
     Europhys. Lett. 84 (2008), 40011
     Interaction−Induced Trapping of Magnetically Insensitive Bose−Einstein Condensates

593. S. Middelkamp, P. G. Kevrekidis, D. J. Frantzeskakis and P. Schmelcher
     Phys. Lett. A 373 (2008), 262
     Matter−Wave Solitons in the Presence of Collisional Inhomogeneities: Perturbation Theory and the Impact of Derivative Terms

594. S. Lünnemann, A. I. Kuleff and L. S. Cederbaum
     Chem. Phys. Lett. 450 (2008), 232
     Ultrafast charge migration in 2−phenylethyl−N,N−dimethylamine

595. S. Lünnemann, A. I. Kuleff and L. S. Cederbaum
     J. Chem. Phys. 129 (2008), 104305
     Charge migration following ionization in systems with chromophore−donor and amine−acceptor sites

596. F. Lenz, F. K. Diakonos and P. Schmelcher
     Phys. Rev. Lett. 100 (2008), 014103
     Tunable Fermi Acceleration in the Driven Elliptical Billiard

597. H. Köppel, B. Schubert and H. Lischka
     Chem. Phys. 343 (2008), 319
     Conical intersections and strong nonadiabatic coupling effects in singlet−excited acetylene: An ab initio quantum dynamical study

598. P. Kolorenc, V. Averbukh, K. Gokhberg and L. S. Cederbaum
     J. Chem. Phys. 129 (2008), 244102
     Ab initio calculation of interatomic decay rates of excited doubly ionized states in clusters

599. F. Koch, F. Lenz, F. K. Diakonos, C. Petri and P. Schmelcher
     Phys. Rev. E 78 (2008), 056204
     Dynamical Trapping and Chaotic Scattering in the Harmonically Driven Barrier

600. S. Klaiman and L. S. Cederbaum
     Phys. Rev. A 78 (2008), 062113
     Non−Hermitian Hamiltonians with space−time symmetry

601. A. K. Karlis, F. K. Diakonos, V. Constantoudis and P. Schmelcher
     Phys. Rev. E 78 (2008), 046213
     Rare Events and Their Impact on Velocity Diffusion in the Fermi−Ulam Model

602. D. M. P. Holland, A. W. Potts, L. Karlsson, I. L. Zaytseva, A. B. Trofimov and J. Schirmer
     Chem. Phys. 353 (2008), 47−58
     A study of the valence shell electronic structure of uracil and the methyluracils

603. D. M. P. Holland, A. W. Potts, L. Karlsson, I. L. Zaytseva, A. B. Trofimov and J. Schirmer
     Chem. Phys. 352 (2008), 205−216
     A study of the valence shell electronic structure of the 5−halouracils

604. M. de Groot, E. Gromov, H. Köppel and W. J. Buma
     J. Phys. Chem. B 112 (2008), 4427
     High−Resolution Spectroscopy of Methyl 4−Hydroxycinnamate and its Hydrogen−Bonded Water Complex

605. R. Gonzalez−Ferez, M. Mayle, P. Sanchez−Moreno and P. Schmelcher
     Europhys. Lett. 83 (2008), 43001
     Comparative Study of the Rovibrational Dynamics of Heteronuclear Alkali Dimers in Electric Fields

606. S. Gomez−Carrasco and H. Köppel
     Chem. Phys. 346 (2008), 81
     Ab initio study of the Renner−Teller effect in the X²Π electronic state of the OHF⁻ anion

607. R. Golser, H. Gnaser, M. Pernpointner, O. Forstner, W. Kutschera, A. Priller, P. Steier and A. Wallner
     Phys. Rev. A 77 (2008), 053203
     The SiF₆²⁻ dianion: Identification by accelerator mass spectrometry and a fully relativistic computation of its photodetachment spectrum.

608. S. Faraji, H. Köppel, W Eisfeld and S. Mahapatra
     Chem. Phys. 347 (2008), 110
     Towards a higher−order description of Jahn−Teller coupling effects in molecular spectroscopy: The A² E state of NO₃

609. S. Faraji, H.−D. Meyer and H. Köppel
     J. Chem. Phys. 129 (2008), 074311
     Multistate vibronic interactions in difluorobenzene radical cations. II Quantum dynamical simulations.

610. S. Faraji and H. Köppel
     J. Chem. Phys. 129 (2008), 074310
     Multistate vibronic interactions in difluorobenzene radical cations. I Electronic structure calculations.

611. L. J. Doriol, F. Gatti, C. Iung and H.−D. Meyer
     J. Chem. Phys. 129 (2008), 224109
     Computation of vibrational energy levels and eigenstates of fluoroform using the multiconfiguration time−dependent Hartree method

612. Ph. V. Demekhin, S. Scheit, S. D. Stoychev and L. S. Cederbaum
     Phys. Rev. A 78 (2008), 043421
     Dynamics of interatomic Coulombic decay in Ne dimer following the K−L1L2,3(1P) Auger transition in the Ne atom

613. L. S. Cederbaum
     J. Chem. Phys. 128 (2008), 124101
     Born−Oppenheimer approximation and beyond for time−dependent electronic processes

614. L. S. Cederbaum, A. I. Streltsov and O. E. Alon
     Phys. Rev. Lett. 100 (2008), 040402
     Fragmented metastable states exist in an attractive Bose−Einstein condensate for atom numbers well above the critical number of the Gross−Pitaevskii theory

615. D. Buchholz, P. Drouvelis and P. Schmelcher
     Europhys. Lett. 81 (2008), 37001
     Tunable Transmission via Quantum State Evolution in Oval Quantum Dots

616. B. Brüggemann, P. Person, H.−D. Meyer and V. May
     Chem. Phys. 347 (2008), 152
     Frequency dispersed transient absorption spectra of dissolved perylene: A case study using the density matrix version of the MCTDH method

617. M. Brill, O. Vendrell, F. Gatti and H.−D. Meyer
     in: High Performance Computing in Science and Engineering 07, ed. W. E. Nagel and D. B. Kröner and M. Resch, Springer, Heidelberg (2008)
     Shared Memory Parallelisation of the Multi−Configuration Time−Dependent Hartree Method and Application to the Dynamics and Spectroscopy of the Protonated Water−Dimer

618. J. M. Bowman, T. Carrington Jr. and H.−D. Meyer
     Mol. Phys. 106 (2008), 2145
     Variational quantum approaches for computing vibrational energies of polyatomic molecules

619. M. Basler, E. Gindensperger, H.−D. Meyer and L. S. Cederbaum
     Chem. Phys. 347 (2008), 78
     Quantum dynamics through conical intersections in macrosystems: Combining effective modes and time−dependent Hartree

620. I. Baldea and L. S. Cederbaum
     in: Frontiers in Quantum Systems in Chemistry and Physics, ed. S. Wilson and P. J. Grout and G. Delgado-Barrio and J. Maruani and P. Piecuch, Springer, (2008)
     Unusual features in optical absorption and photo−ionisation of quantum dot nano−rings

621. I. Baldea and L. S. Cederbaum
     Phys. Rev. B 77 (2008), 165339
     Unusual scarcity in the optical absorption of metallic quantum−dot nanorings described by the extended Hubbard model

622. I. Baldea and H. Köppel
     Phys. Rev. B 78 (2008), 115315
     Electron transport through correlated molecules computed using the time−independent Wigner function: Two critical tests

623. S. Amaran, S. Kumar and H. Köppel
     J. Chem. Phys. 128 (2008), 124305
     Ab initio potential energy surfaces and nonadiabatic interactions in the H⁺ + NO collision system

624. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
     Phys. Rev. A 77 (2008), 033613
     Multiconfigurational time−dependent Hartree method for bosons: Many−body dynamics of Bosonic systems

625. S. Zöllner, H.−D. Meyer and P. Schmelcher
     Phys. Rev. A 75 (2007), 043608
     Excitations of few−boson systems in one−dimensional harmonic and double wells

626. S. Woittequand, D. Duflot, M. Monnerville, B. Pouilly, C. Toubin, S. Briquez and H.−D. Meyer
     J. Chem. Phys. 127 (2007), 164717
     Classical and quantum studies of the photodissociation of a HX (X=Cl,F) molecule adsorbed on ice

627. T. S. Venkatesan, S. Mahapatra, H.−D. Meyer, H. Köppel and L. S. Cederbaum
     J. Phys. Chem. A 111 (2007), 1746
     Multimode Jahn−Teller and Pseudo−Jahn−Teller in the cyclopropane radical cation: Complex vibronic spectra and nonradiative decay dynamics

628. T. S. Venkatesan, S. Mahapatra, H. Köppel and L. S. Cederbaum
     J. Mol. Struct. 838 (2007), 100
     On the Jahn−Teller and pseudo−Jahn−Teller effects in the photoelectron spectrum of cyclopropane

629. O. Vendrell, F. Gatti and H.−D. Meyer
     Angew. Chem. Int. Ed. 46 (2007), 6918−6921
     Dynamics and Infrared Spectroscopy of the Protonated Water Dimer

630. O. Vendrell, F. Gatti and H.−D. Meyer
     J. Chem. Phys. 127 (2007), 184303
     Full dimensional (15D) quantum−dynamical simulation of the protonated water dimer II: Infrared spectrum and vibrational dynamics

631. O. Vendrell, F. Gatti, D. Lauvergnat and H.−D. Meyer
     J. Chem. Phys. 127 (2007), 184302
     Full dimensional (15D) quantum−dynamical simulation of the protonated water dimer I: Hamiltonian setup and analysis of the ground vibrational state

632. N. Vaval and L. S. Cederbaum
     J. Chem. Phys. 126 (2007), 164110
     Ab initio lifetimes in the interatomic Coulombic decay of neon clusters computed with propagators

633. A. I. Streltsov, O. E. Alon and L. S. Cederbaum
     Phys. Rev. Lett 99 (2007), 030402
     Role of excited states in the splitting of a trapped interacting Bose−Einstein condensate by a time−dependent barrier

634. U. Schmidt, I. Lesanovsky and P. Schmelcher
     J. Phys. B 40 (2007), 1003
     Ultracold Rydberg Atoms in a Magneto−Electric Trap

635. J. Schirmer and A. Dreuw
     Phys. Rev. A 75 (2007), 022513
     Critique of the foundations of time−dependent density−functional theory

636. P. Sanchez−Moreno, R. Gonzalez−Ferez and P. Schmelcher
     Phys. Rev. A 76 (2007), 053413
     Molecular Rotational Dynamics in Nonadiabatically Switching Homogeneous Electric Fields

637. N. Saito, Y. Morishita, I. H. Suzuki, S. D. Stoychev, A. I. Kuleff, L. S. Cederbaum, X.−J. Liu, H. Fukuzawa, G. Prümper and K. Ueda
     Chem. Phys. Lett. 441 (2007), 16
     Evidence of radiative charge transfer in argon dimers

638. S. Saeidian, I. Lesanovsky and P. Schmelcher
     Phys. Rev. A 76 (2007), 023424
     Atomic Hyperfine Resonances in Magnetic Quadrupole Fields

639. F. Richter, F. Gatti, C. Leonard, F. Le Quere and H−D. Meyer
     J. Chem. Phys. 127 (2007), 164315
     Time−dependent wave packet study on trans−cis isomerisation of HONO driven by an external field

640. I. Powis, I. L. Zaytseva, A. B. Trofimov, J. Schirmer, D. M. P. Holland, A. W. Potts and L. Karlsson
     J. Phys. B 40 (2007), 2019
     A study of the valence shell electronic structure and photoionization dynamics of selenophene

641. M. Pernpointner
     Chem. Phys. 338 (2007), 44
     A fully relativistic study of the Pt(CN)₄²⁻ and Pt(CN)₆²⁻ photodetachment spectra

642. M. Pernpointner and L. S. Cederbaum
     J. Chem. Phys. 126 (2007), 144310
     PtF₆²⁻ dianion and its detachment spectrum: A fully relativistic study

643. G. Pasin, C. Iung, F. Gatti and H.−D. Meyer
     J. Chem. Phys. 126 (2007), 24302
     Theoretical investigation of highly excited vibrational states in DFCO: Calculation of the out−of−plane bending states and simulation of the intramolecular vibrational energy redistribution

644. A. N. Panda, F. Otto, F. Gatti and H.−D. Meyer
     J. Chem. Phys. 127 (2007), 114310
     Rovibrational energy transfer in ortho−H₂ + para−H₂ collisions

645. B. S. Monozon and P. Schmelcher
     Phys. Rev. B 75 (2007), 245207
     Multi−Photon Exciton Absorption in a Superlattice Exposed to dc Electric Fields

646. N. Moiseyev, M. Sindelka and L. S. Cederbaum
     Phys. Lett. A 362 (2007), 215
     Trapping of cold atoms in optical lattices by the quadropole force

647. S. Middelkamp, I. Lesanovsky and P. Schmelcher
     Phys. Rev. A 76 (2007), 022507
     Spectral properties of a Rydberg atom immersed in a Bose−Einstein condensate

648. V. S. Melezhik, J. Kim and P. Schmelcher
     Phys. Rev. A 76 (2007), 053611
     Wave Packet Dynamical Analysis of Ultracold Scattering in Cylindrical Waveguides

649. M. Mayle, B. Hezel, I. Lesanovsky and P. Schmelcher
     Phys. Rev. Lett. 99 (2007), 113004
     One−Dimensional Rydberg Gas in a Magnetoelectric Trap

650. M. Mayle, R. Gonzalez−Ferez and P. Schmelcher
     Phys. Rev. A 75 (2007), 013421
     Controlling Molecular Orientation through Radiative Rotational Transitions in Strong Static Electric Fields

651. C. Matthies, S. Zöllner, H.−D. Meyer and P. Schmelcher
     Phys. Rev. A 76 (2007), 023602
     Quantum dynamics of two bosons in an anharmonic trap: Collective versus internal excitations

652. S. Mahapatra, W. Eisfeld and H. Köppel
     Chem. Phys. Lett. 441 (2007), 7
     Effects of multimode Jahn−Teller coupling in the photodetachment spectrum of the nitrate anion (NO₃⁻)

653. A. Lühr, O.−A. Al−Hujaj and P. Schmelcher
     Phys. Rev. A 75 (2007), 013403
     Resonances of the Helium Atom in a Strong Magnetic Field

654. X.−J. Liu, N. Saito, H. Fukuzawa, Y. Morishita, S. Stoychev, A. Kuleff, I. H. Suzuki, Y. Tamenori, R. Richter, G. Prümper and K. Ueda
     J. Phys. B 40 (2007), F1
     Evidence of sequential interatomic decay in argon trimers obtained by electron?triple−ion coincidence spectroscopy

655. F. Lenz, F. K. Diakonos and P. Schmelcher
     Europhys. Lett. 79 (2007), 20002
     Scattering Dynamics of Driven Closed Billiards

656. F. Lenz, F. K. Diakonos and P. Schmelcher
     Phys. Rev. E 76 (2007), 066213
     Classical Dynamics of the Time−Dependent Elliptical Billiard

657. A. I. Kuleff and L. S. Cederbaum
     Chem. Phys. 338 (2007), 320
     Charge migration in different conformers of glycine: The role of nuclear geometry

658. A. I. Kuleff and L. S. Cederbaum
     Phys. Rev. Lett. 98 (2007), 083201
     Tracing ultrafast Interatomic electronic decay processes in real time and space

659. N. V. Kryzhevoi, V. Averbukh and L. S. Cederbaum
     Phys. Rev. B 76 (2007), 094513
     High activity of helium droplets following ionization of systems inside those droplets

660. G.−J. Kroes and H.−D. Meyer
     Chem. Phys. Lett. 440 (2007), 334
     Using n−mode potentials for reactive scattering: Application to 6D H₂+Pt(111)

661. J. I. Kim, V. S. Melezhik and P. Schmelcher
     Rep. Prog. Theo. Phys. 166 (2007), 159
     Quantum Confined Scattering Beyond the S−Wave Approximation

662. B. Hezel, I. Lesanovsky and P. Schmelcher
     Phys. Rev. A 76 (2007), 053417
     Ultracold Rydberg Atoms in a Ioffe−Pritchard Trap

663. E. V. Gromov, I. Burghardt, H. Köppel and L. S. Cederbaum
     J. Am. Chem. Soc. 129 (2007), 6798
     Electronic structure of the PYP chromophore in its native protein environment

664. E. V. Gromov, I. Burghardt, J. T. Hynes, H. Köppel and L. S. Cederbaum
     J. Photochem. Photobiol. A: Chem. 190 (2007), 241
     Electronic structure of the photoactive yellow protein chromophore: Ab initio study of the low−lying excited singlet states

665. R. Gonzalez−Farez, M. Mayle and P. Schmelcher
     Europhys. Lett. 78 (2007), 53001
     Formation of Ultracold Heteronuclear Dimers in Electric Fields

666. R. Gonzalez−Ferez, M. Weidemüller and P. Schmelcher
     Phys. Rev. A 76 (2007), 023402
     Photoassociation of Cold Heteronuclear Dimers in Static Electric Fields

667. K. Gokhberg, V. Averbukh and L. S. Cederbaum
     J. Chem. Phys. 126 (2007), 154107
     Decay rates of inner−valence excitations in noble gas atoms

668. K. Gokhberg, V. Averbukh, V. Vysotzskiy and L. S. Cederbaum
     in: Computation in modern science and engineering, ed. G. Maroulis and T. Simos, American Institute of Physikcs, (2007)
     Molecular photoionization cross−sections by application of Stieltjes imaging to Lanczos pseudospectra

669. E. Gindensperger, I. Baldea, J. Franz and H. Köppel
     Chem. Phys. 338 (2007), 207
     Multi−state vibronic interactions in the fluorobenzene radical cation: The importance of quadratic coupling terms

670. E. Gindensperger and L. S. Cederbaum
     J. Chem. Phys. 127 (2007), 124107
     Quantum dynamics in macrosystems with several coupled electronic states: Hierarchy of effective Hamiltonians

671. E. Gindensperger, H. Köppel and L. S. Cederbaum
     J. Chem. Phys. 126 (2007), 034106
     Hierarchy of effective modes for the dynamics through conical intersections in macrosystems

672. P. Drouvelis, G. Fagas and P. Schmelcher
     J. Phys. Cond. Mat. 19 (2007), 326209
     Magnetically Controlled Current Flow in Coupled−Dot Arrays

673. L. S. Cederbaum, A. I. Streltsov, Y. B. Band and O. E. Alon
     Phys. Rev. Lett. 98 (2007), 110405
     Interferences in the density of two Bose−Einstein condensates consisting of identical or different atoms

674. M. R. Brill, F. Gatti, D. Lauvergnat and H.−D. Meyer
     Chem. Phys. 338 (2007), 186−199
     Photoinduced nonadiabatic dynamics of ethene: Six dimensional wave packet propagations using two different approximations of the kinetic energy operator

675. J. Breidbach and L. S. Cederbaum
     J. Chem. Phys. 126 (2007), 034101
     Migration of holes: Numerical algorithms and implemantation

676. C. Bleiholder, R. Gleiter, D. B. Werz and H. Köppel
     Inorg. Chem. 46 (2007), 2249
     Theoretical Investigations on Heteronuclear Chalcogen−Chalcogen Interactions: On the Nature of Weak Bonds between Chalcogen Centers

677. M. Bittner, H. Köppel and F. Gatti
     J. Phys. Chem. A 111 (2007), 2407
     Multidimensional Quantum Dynamical Study of beta−Hydrogen Transfer in a Cationic Rhodium Complex

678. V. G. Bezchastnov, P. Schmelcher and L. S. Cederbaum
     Phys. Rev. A 75 (2007), 052507
     Theory of magnetically induced anions

679. I. Baldea, J. Franz and H. Köppel
     J. Mol. Struct. 838 (2007), 94
     Jahn−Teller and related conical intersections in the benzene radical cation and the monofluoro dervative

680. I. Baldea and L. S. Cederbaum
     Phys. Rev. B 75 (2007), 125323
     Hidden quasisymmetry in the optical absorption of quantum dot nanorings

681. I. Baldea, B. Schimmelpfennig, M. Plaschke, J. Rothe, J. Schirmer, A. B. Trofimov and T. Fanghänel
     J. Electron Spectrosc. Relat. Phenom. 154 (2007), 109−118
     C1s near edge X−ray absorption fine structure (NEXAFS) of substituted benzoic acids − A theoretical and experimental study

682. V. Averbukh and L. S. Cederbaum
     in: Computational Methods in Science and Engineering, ed. G. Maroulis and T. Simos, , (2007)
     Interatomic (intermolecular) decay processes in clusters: Current status and outlook

683. C. Amovilli, N. H. March and P. Schmelcher
     Phys. Lett. A 362 (2007), 449
     Modelling of Electron Density in Linear Configurations of H₃²⁺ and H₄³⁺ stabilized by an intense magnetic field along the chain axis

684. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
     Phys. Lett. A 362 (2007), 453
     Time−dependent multi−orbital mean−field for fragmented Bose−Einstein condensates

685. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
     J. Chem. Phys. 127 (2007), 154103
     Unified view on multiconfigurational time propagation for systems consisting of identical particles

686. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
     Phys. Rev. a 76 (2007), 062501
     Multiconfigurational time−dependent Hartree method for mixtures consisting of two types of identical particles

687. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
     Phys. Rev. A 76 (2007), 013611
     Multiorbital mean−field approach for bosons, spinor bosons, and Bose−Bose and Bose−Fermi mixtures in real−space optical lattices

688. S. Zöllner, H.−D. Meyer and P. Schmelcher
     Phys. Rev. A 74 (2006), 063611
     Correlations in ultracold trapped few−boson systems: Transition from condensation to fermionization

689. S. Zöllner, H.−D. Meyer and P. Schmelcher
     Phys. Rev. A 74 (2006), 053612
     Ultracold Few−Boson Systems in a Double−Well Trap

690. L. Wang, H.−D. Meyer and V. May
     J. Chem. Phys. 125 (2006), 014102
     Femtosecond laser pulse control of multidimensional vibrational dynamics: Computational studies on the pyrazine molecule

691. D. V. Tsivlin, H.−D. Meyer and V. May
     J. Chem. Phys. 124 (2006), 134907
     Vibrational excitations in alpha−helical polypeptides: Multiexciton self−trapping and related infrared transient absorption

692. A. B. Trofimov, J. Schirmer, V. B. Kobychev, A. W. Potts, D. M. P. Holland and L. Karlsson
     J. Phys. B 39 (2006), 305
     Photoelectron spectra of the nucleobases cytosine, thymine and adenine

693. A. B. Trofimov, I. L. Krivdina, J. Weller and J. Schirmer
     Chem. Phys. 329 (2006), 1
     Algebraic−diagrammatic propagator approach to molecular response properties

694. A. I. Streltsov, O. E. Alon and L. S. Cederbaum
     Phys. Rev. A. 73 (2006), 063626
     General variational many−body theory with complete self−consistency for trapped bosonic systems

695. J. H. Starcke, M. Wormit, J. Schirmer and A. Dreuw
     Chem. Phys. 329 (2006), 39
     How much double excitation character do the lowest excited states of linear polyenes have?

696. M. Sindelka, N. Moiseyev and L. S. Cederbaum
     Phys. Rev. A 74 (2006), 053420
     Dipole and quadrupole forces exerted on atoms in laser fields: The nonpertubative approach

697. S. Scheit and L. S. Cederbaum
     Phys. Rev. Lett. 96 (2006), 233001
     Coincidence and total photoelectron spectra and their differences induced by internal degrees of freedom

698. S. Scheit, V. Averbukh, H.−D. Meyer, J. Zobeley and L. S. Cederbaum
     J. Chem. Phys. 124 (2006), 154305
     Interatomic Coulombic decay in a heteroatomic rare gas cluster

699. S. Scheit, H.−D. Meyer, N. Moiseyev and L. S. Cederbaum
     J. Chem. Phys. 124 (2006), 034102
     On the unphysical impact of complex absorbing potentials on the Hamiltonian and its remedy

700. M. Pernpointner
     Chem. Phys. 329 (2006), 256
     Relativistic Calculation of the SeH₂ and TeH₂ Photoelectron Spectra

701. M. Pernpointner, S. Knecht and L. S. Cederbaum
     J. Chem. Phys. 125 (2006), 034309
     Ionisation spectra and electronic decay in small iodide clusters: Fully relativistic results

702. G. Pasin, F. Gatti, C. Iung and H.−D. Meyer
     J.Chem. Phys. 124 (2006), 194304
     Theoretical investigation of Intramolecular Vibrational Energy Redistribution in highly excited HFCO

703. I. B. Müller and l. S. Cederbaum
     J. Chem. Phys. 125 (2006), 204305
     Ionization and double ionization of small water clusters

704. H.−D. Meyer, F. Le Quere, C. Leonard and F. Gatti
     Chem. Phys. 329 (2006), 179−192
     Calculation and selective population of vibrational levels with the Mulitconfiguration Time−Dependent Hartree (MCTDH) algorithm

705. I. Lesanovsky, P. Schmelcher and H. Sadeghpour
     J. Phys. B Lett. 39 (2006), 69−76
     Ultra Long−Range Rydberg Molecules Exposed to a Magnetic Field

706. S. Saeidian I. Lesanovsky and P. Schmelcher
     Phys. Rev. A 74 (2006), 065402
     Negative Energy Resonances of Bosons in Magnetic Quadrupole Traps

707. I. Lesanovsky, S. Hofferberth, J. Schmiedmayer and P. Schmelcher
     Phys. Rev. A 74 (2006), 033619
     Manipulation of Ultracold Atoms in Dressed Adiabatic Radio Frequency Potentials

708. H. Köppel
     in: Quantum Dynamics of Complex Molecular Systems, ed. D. A. Micha and I. Burghardt, Springer, Heidelberg (2006)
     Nonadiabatic Multimode Dynamics at Symmetry−Allowed Conical Intersections

709. H. Köppel and B. Schubert
     Mol. Phys. 104 (2006), 1069−1079
     The concept of regularized diabatic states for a general conical intersection

710. S. Klaiman, N. Moiseyev and L. S. Cederbaum
     Phys. Rev. A 73 (2006), 013622
     Exact solution of two bosons in a trap potential: Transition to fragmentation

711. J. Kim, V. S. Melezhik and P. Schmelcher
     Phys. Rev. Lett. 97 (2006), 193203
     Suppression of Quantum Scattering in Strongly Confined Systems

712. A. K. Karlis, P. K. Papachristou, F. K. Diakonos, V. Constantoudis and P. Schmelcher
     Phys. Rev. Lett. 97 (2006), 194102
     Hyperacceleration Mechanisms in the Stochastic Fermi−Ulam Model

713. M. Ivanov and P. Schmelcher
     J. Phys. Cond. Mat. 18 (2006), 2963
     Electronic Transmission Through a Coupled Quantum Dot and Ring

714. B. Hezel, I. Lesanovsky and P. Schmelcher
     Phys. Rev. Lett. 97 (2006), 223001
     Controlling Ultracold Rydberg Atoms in the Quantum Regime

715. M. de Groot, W. J. Buma, E. V. Gromov, I. Burghardt, H. Köppel and L. S. Cederbaum
     J. Chem. Phys. 125 (2006), 204303
     Combined experimental−theoretical study of the lower excited singlet states of paravinyl phenol, an analog of the paracoumaric acid chromophore

716. R. Gonzalez−Ferez, M. Mayle and P. Schmelcher
     Chem. Phys. 329 (2006), 203
     Rovibrational Dynamics of LiCs Dimers in Strong Electric Fields

717. K. Gokhberg, V. Averbukh and L. S. Cederbaum
     J. Chem. Phys. 124 (2006), 144315
     Interatomic decay of inner−valence−excited states in clusters

718. E. Gindensperger, I. Burghardt and L. S. Cederbaum
     J. Chem. Phys. 124 (2006), 144104
     Short−time dynamics through conical intersections in macrosystems. II. Applications

719. E. Gindensperger, I. Burghardt and L. S. Cederbaum
     J. Chem. Phys. 124 (2006), 144103
     Short−time dynamics through conical intersections in macrosystems. I. Theory: Effective−mode formulation

720. S. Feuerbacher and L. S. Cederbaum
     J. Chem. Phys. 124 (2006), 044320
     A small and stable covalently bound trianion

721. P. S. Drouvelis, P. Schmelcher and P. Bastian
     Comp. Phys. 215 (2006), 741
     Parallel Implementation of the Recursive Greens Function Method

722. C. Crespos, H.−D. Meyer, R. C. Mowrey and G. J. Kroes
     J. Chem. Phys. 124 (2006), 074706
     Multiconfiguration time−dependent Hartree method applied to molecular dissociation on surfaces: H₂+Pt(111)

723. L. S. Cederbaum, O. E. Alon and A. I. Streltsov
     Phys. Rev. A 73 (2006), 043609
     Coupled−cluster theory for systems of bosons in external traps

724. I. Burghardt, J. T. Hynes, E. Gindensperger and L. S. Cederbaum
     Phys. Scr. 73 (2006), C42
     Ultrafast excited−state dynamics at a conical intersection: the role of environmental effects

725. I. Burghardt, E. Gindensperger and L. S. Cederbaum
     Mol. Phys. 104 (2006), 1081
     An effective Hamiltonian for the short−time dynamics at a conical intersection

726. D. Buchholz, P. S. Drouvelis and P. Schmelcher
     Phys. Rev. B 73 (2006), 235346
     Single electron Quantum dot in a spatially periodic magnetic field

727. C. Bleiholder, D. B. Werz, H. Köppel and R. Gleiter
     J. Am. Chem. Soc. 128 (2006), 2666−2674
     Theoretical investigations on chalcogen−chalcogen interactions: what makes these nonbonded interactions bonding?

728. R. C. Bilodeau, C. W. Walter, I. Dumitriu, N. D. Gibson, G. D. Ackermann, J. D. Bozek, B. S. Rude, R. Santra, L. S. Cederbaum and N. Berrah
     Chem. Phys. Lett. 426 (2006), 237
     Photo double detachment of CN⁻: Electronic decay from an inner−valence hole in molecular anions

729. J. Bill, M.−I. Trappe, I. Lesanovsky and P. Schmelcher
     Phys. Rev. A 73 (2006), 053609
     Resonant Quantum Dynamics of Neutral Spin 1 Bosons in a Magnetic Guide

730. I. Baldea, J. Franz, P. G. Szalay and H. Köppel
     Chem. Phys. 329 (2006), 65−75
     Multi−mode vibronic interactions in the five lowest electronic states of the fluorobenzene radical cation

731. I. Baldea and H. Köppel
     J. Chem. Phys. 124 (2006), 064101
     Multistate multimode vibronic dynamics: entanglement of electronic and vibrational degrees of freedom in the benzene radical cation

732. V. Averbukh and L. S. Cederbaum
     J. Chem. Phys. 125 (2006), 094107
     Calculation of interatomic decay widths of vacancy states delocalized due to inversion symmetry

733. V. Averbukh and L. S. Cederbaum
     Phys. Rev. Lett. 96 (2006), 053401
     Interatomic electronic decay in endohedral fullerenes

734. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
     Phys. rev. Lett. 97 (2006), 230403
     Demixing of bosonic mixtures in optical lattices from macroscopic to microscopic scales

735. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
     J. Mol. Structure 768 (2006), 151
     Copled−cluster theory for bosons in rings and optical lattices

736. S. Zöllner, P. Schmelcher and H.−D. Meyer
     Europhys. Lett. 71 (2005), 373
     Multi−electron giant dipole resonances in crossed fields

737. S. Zöllner, H.−D. Meyer and P. Schmelcher
     Phys. Rev. A 72 (2005), 033416
     N−electron giant dipole states in crossed electric and magnetic fields

738. S. Woittequand, C. Toubin, B. Pouilly, M. Monnerville, S. Briquez and H.−D. Meyer
     Chem. Phys. Lett. 406 (2005), 202
     Photodissociation of a HCl molecule adsorbed on ice

739. H. Wadepohl, U. Kohl, M. Bittner and H. Köppel
     Organometallics 24 (2005), 2097−2105
     Experimental and theoretical study of the hydride migration to ethylene in an electron−rich cobalt complex

740. O. Vendrell and H.−D. Meyer
     J. Chem. Phys. 122 (2005), 104505
     Proton conduction along a chain of water molecules. Development of a linear model and quantum dynamical investigations using the multiconfiguration time−dependent Hartree method

741. A. B. Trofimov and J. Schirmer
     J. Chem. Phys. 123 (2005), 144115\₁−15
     Molecular ionization energies and ground− and ionicstate properties using a non−Dyson electron propagator approach

742. G. Theocharis, P. Schmelcher, M. K. Oberthaler, P. G. Kevrekidis and D. J. Frantzeskakis
     Phys. Rev. A 72 (2005), 023609
     Dynamics of Dark Matter−Wave Solitons: A Lagrangian Approach

743. A. I. Streltsov and L. S. Cederbaum
     Phys. Rev. A 71 (2005), 063612
     Properties of fragmented repulsive condensates

744. B. Schubert, H. Köppel and H. Lischka
     J. Chem. Phys. 122 (2005), 184312
     A wave−packet simulation of the low−lying singlet electronic transitions of acetylene

745. S. Scheit, H.−D. Meyer and L. S. Cederbaum
     Journal of Pysics: Conference series 4 (2005), 277
     The interatomic Coulombic decay in Ne₂

746. R. Santra and L. S. Cederbaum
     Phys. Rev. Lett. 94 (2005), 199901
     Erratum: Coulombic energy transfer and triple ionization in clusters

747. K. Sakmann, A. I. Streltsov, O. E. Alon and L. S. Cederbaum
     Phys. Rev. A 72 (2005), 033613
     Exact ground state of finite Bose−Einstein condensates on a ring

748. B. J. Rao, S. Mahapatra, H. Köppel and M. Jungen
     J. Chem. Phys. 123 (2005), 134325
     On the Exe−Jahn−Teller conical intersections in the 3p(E') and 3d(E'') Rydberg electronic states of triatomic hydrogen

749. I. Powis, J. D. Thrower, A. B. Trofimov, T. E. Moskovskaya, J. Schirmer, A. W. Potts, M. P. Holland, F. Bruhn and L. Karlsson
     Chem. Phys. 315 (2005), 121−132
     An experimental and theoretical study of the photoelectron spectrum of hydrogen selenide

750. B. Pouilly, M. Monnerville, F. Gatti and H.−D. Meyer
     J. Phys. Chem. 122 (2005), 184313
     Wave packet study of the UV photodissociation of the Ar₂HBr complex

751. M. Pernpointner and S. Knecht
     Chem. Phys. Lett. 410 (2005), 423
     The Influence of Relativistic Effects on the Ionization Spectra of the Alkali Iodides

752. M. Pernpointner and L. S. Cederbaum
     J. Chem. Phys. 122 (2005), 214302
     Effect of relativity on the ionization spectra of the xenon fluorides XeF_n (n=2,4,6)

753. M. Pernpointner
     J. Phys. B. 38 (2005), 1955
     The effect of the Gaunt interaction on the molecular ionization spectra of CO, H₂S and TlH

754. M. Pernpointner, J. Breidbach and L. S. Cederbaum
     J. Chem. Phys. 122 (2005), 064311
     Remarkable interplay of electron correlation and relativity in the photoelectron spectrum of PtCl₆²⁻

755. I. B. Müller and L. S. Cederbaum
     J. Chem. Phys. 122 (2005), 094305
     Electronic decay following ionization of aqueous Li⁺ microsolvation clusters

756. B. Monozon and P. Schmelcher
     Phys. Rev. B 71 (2005), 085302
     Resonant Impurity and Exciton States in Narrow Quantum Wells

757. N. Moiseyev and L. S. Cederbaum
     Phys. Rev. A 72 (2005), 033605
     Resonance solutions of the nonlinear Schrödinger equation: Tunneling lifetime and fragmentation of trapped condensates

758. H.−D. Meyer
     Journal of Pysics: Conference series 4 (2005), 66
     Dynamics of excited molecular states

759. A. Markmann, G. A. Worth, S. Mahapatra, H.−D. Meyer, H. Köppel and L. S. Cederbaum
     J. Chem. Phys. 123 (2005), 204310
     Simulation of a complex spectrum: Interplay of five electronic states and 21 vibrational degrees of freedom in C₅H₄⁺

760. A. Markmann, G. A. Worth and L. S. Cederbaum
     J. Chem. Phys. 122 (2005), 144320
     Allene and pentatetraene cations as models for intramolecular charge transfer: Vibronic coupling Hamiltonian and conical intersections

761. S. Mahapatra, V. Vallet, C. Woywod, H. Köppel and W. Domcke
     J. Chem. Phys. 123 (2005), 231103
     Remarkable impact of intermode couplings on multimode vibronic dynamics: the photoelectron spectrum of CH₃F

762. I. Lesanovsky and P. Schmelcher
     Eur. Phys. J. D Spec. Iss. 35 (2005), 31
     Selected Aspects of the Quantum Dynamics and Electronic Structure of Ultracold Atoms in Magnetic Microtraps

763. I. Lesanovsky, J. Schmiedmayer and P. Schmelcher
     J. Phys. B Spec. Iss. 38 (2005), 151−170
     Rydberg Atoms in Magnetic Quadrupole Fields

764. I. Lesanovsky and P. Schmelcher
     Phys. Rev. A 72 (2005), 053410
     Quantum States of Ultracold Electronically Excited Atoms in a Magnetic Quadrupole Trap

765. I. Lesanovsky and P. Schmelcher
     Phys. Rev. Lett. 95 (2005), 053001
     Magnetic Trapping of Ultracold Rydberg Atoms

766. I. Lesanovsky and P. Schmelcher
     Phys. Rev. A 71 (2005), 032510
     Spectral Properties and Lifetimes of Neutral Fermions and Bosons in a Magnetic Quadrupole Trap

767. I. B. Müller und L. S. Cederbaum
     J. Phys. Chem. A 109 (2005), 10424−10437
     Microsolvation fo F⁻ in Water

768. A. I. Kuleff, J. Breidbach and L. S. Cederbaum
     J. Chem. Phys. 123 (2005), 044111
     Multielectron wave−packet propagation: General theory and application

769. N. V. Kryzhevoi and L. S. Cederbaum
     J. Chem. Phys. 123 (2005), 154308
     Competitive charge− and energy−transfer processes following core ionization in the Na⁻CO cluster

770. N. V. Kryzhevoi, N. V. Dobrodey and L. S. Cederbaum
     J. Chem. Phys. 122 (2005), 104304
     Charge transfer in the Cl⁻CO cluster induced by core ionization

771. S. Knippenberg, M. S. Deleuze, T. J. Cleij, J.−P. Francois, L. S. Cederbaum and J. H. D. Eland
     J. Phys. Chem. A 109 (2005), 4267
     The band 12 issue in the electron momentum spectra of norbornane: A comparison with additonal Greens's function calculations and ultraviolet photoemission measurements

772. J. Kim, J. Schmiedmayer and P. Schmelcher
     Phys. Rev. A 72 (2005), 042711
     Quantum Scattering in Strong Cylindrical Confinement

773. M. P. Holland, A. W. Potts, A. B. Trofimov, J. Breidbach, J. Schirmer, R. Feifel, T. Richter, K. Godehusen, M. Martins, A. Tutay, M. Yalcinkaya, M. Al−Hada, S. Eriksson and L. Karlsson
     Chem. Phys. 308 (2005), 543−57
     An experimental and theoretical study of the valence shell photoelectron spectrum tetrafluoromethane

774. H. Henning, J. Breidbach and L. S. Cederbaum
     J. Phys. Chem. A 109 (2005), 409
     Electron correlation as the driving force for charge transfer: Charge migration following ionization in N−methyl acetamide

775. H. Hennig, J. Breidbach and L. S. Cederbaum
     J. Chem. Phys. 122 (2005), 249901
     Erratum: Charge transfer driven by electron correlation: A non−Dyson propagator approach

776. H. Hennig, J. Breidbach and L. S. Cederbaum
     J. Chem. Phys. 122 (2005), 134103
     Charge transfer driven by electron correlation: A non−Dyson propagator approach

777. E. V. Gromov, I. Burghardt, H. Köppel and L. S. Cederbaum
     J. Phys. Chem. A 109 (2005), 4623−4631
     Impact of sulfur vs oxygen on the low−lying excited states of trans−p−coumaric acid and trans−p−coumaric thio acid

778. R. Gonzalez−Ferez and P. Schmelcher:
     Eur. Phys. Lett. 72 (2005), 555
     Rotation−Vibration Mixing of Heteronuclear Dimers in Electric Fields

779. R. Gonzalez−Ferez and P. Schmelcher
     Phys. Rev. A 71 (2005), 033416
     Electric Field−Induced Adiabaticity in the Rovibrational Dynamics of Heteronuclear Diatomic Molecules

780. K. Gokhberg, A. B. Trofimov, T. Sommerfeld and L. S. Cederbaum
     Europhys. Lett. 72 (2005), 228
     Ionization of metal atoms following valence−excitation of neighbouring molecules

781. F. Gatti, F. Otto, S. Sukiasyan and H.−D. Meyer
     J. Chem Phys. 123 (2005), 174311
     Rotational excitation cross sections of para−H₂ + para−H₂ collisions. A full−dimensional wave packet propagation study using an exact form of the kinetic energy.

782. N. Fytas, F. K. Diakonos, P. Schmelcher, M. Scheid, A. Lassl, K. Richter and G. Fagas
     Phys. Rev. B 72 (2005), 085336
     Magnetic−Field Dependence of Transport in Normal and Andreev Billiards: A Classical Interpretation to the Quantum Results

783. S. Feuerbacher and R. Santra
     J. Chem. Phys. 12 (2005), 194310
     Calculating molecule Rydberg states using the one−particle Green's function: Application to HCO and C(NH₂)₃

784. S. Feuerbacher and L. S. Cederbaum
     J. Phys. Chem. A 109 (2005), 11401
     Stable and long−lived trianions in the gas phase

785. B. Feuerbacher and L. S. Cederbaum
     Phys. Rev. A 72 (2005), 022731
     Direct diagrammatic construction scheme for the inelastic propagator between simply excited states

786. B. Feuerbacher and L. S. Cederbaum
     Phys. Rev. A 72 (2005), 012705
     Diagrammatic approaches to the inelastic propagator

787. L. S. Cederbaum, E. Gindensperger and I. Burghardt
     Phys. Rev. Lett. 94 (2005), 113003
     Short−time dynamics through conical intersections in macrosystems

788. I. Burghardt, L. S. Cederbaum and J. T. Hynes
     Comp. Phys. Communications 169 (2005), 95
     Ultrafast excited−state charge transfer at a conical intersection

789. J. Breidbach and L. S. Cederbaum
     Phys. Rev. Lett. 94 (2005), 033901
     Universial attosecond response to the removal of an electron

790. H. Bock, I. Lesanovsky and P. Schmelcher
     J. Phys. B 38 (2005), 893
     Neutral Two−Body Systems in Inhomogeneous Magnetic Fields: The Quadrupole Configuration

791. V. G. Bezchastnov, P. Schmelcher and L. S. Cederbaum
     Phys. Rev. Lett. 95 (2005), 113002
     Quantum states of magnetically induced anions

792. R. Baer, Y. Kurzweil and L. S. Cederbaum
     Is. J. Chem. 45 (2005), 161
     Time−dependent density functional theory for nonadiabatic processes

793. V. Averbukh and L. S. Cederbaum
     J. Chem. Phys. 123 (2005), 204107
     Ab initio calculation of interatomic decay rates by a combination of the Fano Ansatz, Green's−function methods, and the Stieltjes imaging technique

794. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
     Phys. Lett. A 347 (2005), 88
     Fragmentation of Bose−Einstein condensates in multi−well three−dimensional traps

795. O. E. Alon and L. S. Cederbaum
     Phys. Rev. Lett. 95 (2005), 140402
     Pathway from condensation via fragmentation to fermionization of cold bosonic systems

796. O. E. Alon, A. Streltsov and L. S. Cederbaum
     Phys. Rev. B 71 (2005), 125113
     Interacting fermions and bosons with definite total momentum

797. O. Alon, A. I. Streltsov and L. S. Cederbaum
     Phys. Rev. Lett. 95 (2005), 030405
     Zoo of quantum phases and excitations of cold bosonic atoms in optical lattices

798. G. A. Worth, H.−D. Meyer and L. S. Cederbaum
     in: Conical Intersections, ed. W. Domcke, D. R. Yarkony and H. Köppel, World Scientific, NJ, Singapore (2004)
     Multidimensional dynamics involving a conical intersection: Wavepacket calculations using the MCTDH method

799. G. A. Worth and L. S. Cederbaum
     Ann. Rev. Phys. Chem. 55 (2004), 127
     Beyond Born−Oppenheimer: Molecular dynamics through a conical intersection

800. D. Vrinceanu, B. E. Granger, R. Parrott, H. R. Sadeghpour, L. S. Cederbaum, A. Mody, J. Tan and G. Gabrielse
     Phys. Rev. Lett. 92 (2004), 133402
     Strongly magnetized antihydrogen and its field ionization

801. T. S. Venkatesan, S. Mahapatra, L. S. Cederbaum and H. Köppel
     J. Phys. Chem. A 108 (2004), 2256
     Theoretical investigation of Jahn−Teller dynamics in the 2E' electronic ground state of the cyclopropane radical cation

802. A. I. Streltsov, L. S. Cederbaum and N. Moiseyev
     Phys. Rev. A 70 (2004), 053607
     Ground−state fragmentation of repulsive Bose−Einstein condensates in double−trap potentials

803. T. Sommerfeld, H.−D. Meyer and L. S. Cederbaum
     Phys. Chem. Chem. Phys. 6 (2004), 42
     Potential energy surface of the CO₂ anion

804. T. Sommerfeld
     J. Chem. Phys. 121 (2004), 4097
     Multipole−bound states of Succinonitrile and other dicarbonitriles

805. P. Schwerdtfeger, M. Pernpointner and W. Nazarewitcz
     in: Calculation of NMR and EPR Parameters, Theory and Applications, ed. M. Kaupp and M. Bühl and V. Malkin, Wiley−VCH, Weinheim (2004)
     Calculation of Nuclear Quadrupole Coupling Constants

806. P. Schmelcher and J. Schirmer
     in: Encyclopedia of Nonlinear Science, ed. A. Scott, Fitzroy Dearborn, London (2004)
     Hartree Approximation

807. J. Schirmer and A. B. Trofimov
     J. Chem. Phys. 120 (2004), 11449−11464
     Intermediate state representation approach to physical properties of electronically excited molecules

808. S. Scheit, V. Averbukh, H.−D. Meyer, N. Moiseyev, R. Santra, T. Sommerfeld, J. Zobeley and L. S. Cederbaum
     J. Chem. Phys. 121 (2004), 8393
     On the interatomic Coulombic decay in the Ne dimer

809. F. Richter, P. Rosmus, F. Gatti and H.−D. Meyer
     J. Chem. Phys. 120 (2004), 6072−6084
     Time−dependent wavepacket study on trans−cis isomerisation of HONO

810. F. Richter, M. Hochlaf, P. Rosmus, F. Gatti and H.−D. Meyer
     J. Chem. Phys. 120 (2004), 1306−1317
     A study of mode−selective trans−cis isomerisation in HONO using ab initio methodology

811. D. Pingel, P. Schmelcher and F. K. Diakonos
     Phys. Rep. 400 (2004), 67
     Stabilisation Transformations: A Tool to Solve Nonlinear Problems

812. M. Pernpointner
     J. Chem. Phys. 121 (2004), 8782
     The one−particle Green's function method in the Dirac−Hartree−Fock framework. II. Third−order valence ionization energies of the noble gases, CO and ICN.

813. M. Pernpointner and A. B. Trofimov
     J. Chem. Phys. 120 (2004), 4098
     The one−particle Green's function method in the Dirac−Hartree−Fock framework. I. Second−order valence ionization energies of Ne through Xe.

814. E. Narevicius, N. Moseyev, H. R. Sadeghpour and L. S. Cederbaum
     J. Chem. Phys. 121 (2004), 3527
     Extremely narrow peaks in predissociation of sodium dimer due to rovibronic coupling

815. I. B. Müller, L. S. Cederbaum and F. Tarantelli
     J. Phys. Chem. A 108 (2004), 5831
     Microsolvation of Li+ in water analyzed by ionization and double ionization

816. B. Monozon, M. V. Ivanov and P. Schmelcher
     Phys. Rev. B 70 (2004), 205336
     Impurity Center in a Semiconductor Quantum Ring in the Presence of a Radial Electric Field

817. N. Moiseyev, S. Scheit and L. S. Cederbaum
     J. Chem. Phys. 121 (2004), 722
     Non−Hermitian quantum mechanics: Wave packet propagation on autoionizing potential energy surfaces

818. S. Mahapatra, V. Vallet, C. Woywod, H. Köppel and W. Domcke
     Chem. Phys. 304 (2004), 17−34
     Multimode Jahn−Teller and pseudo−Jahn−Teller coupling effects in the photoelectron spectrum of CH₃F

819. I. Lesanovsky, J. Schmiedmayer and P. Schmelcher
     Europhysics Letters 65 (2004), 478
     Rydberg Atoms in Magnetic Quadrupole Traps

820. I. Lesanovsky and P. Schmelcher
     Phys. Rev. A 70 (2004), 063604
     Spectral Properties and Lifetimes of Neutral Spin 12 Fermions in a Magnetic Guide

821. I. Lesanovsky, J. Schmiedmayer and P. Schmelcher
     Phys. Rev. A 69 (2004), 053405
     Electronic Structure of Atoms in Magnetic Quadrupole Fields

822. I. Lesanovsky, J. Schmiedmayer and P. Schmelcher
     Phys. Rev. A 70 (2004), 043409
     Rydberg Atoms in a Magnetic Guide

823. B. Lasorne, F. Gatti, E. Baloitcha, H.−D. Meyer and M. Desouter−Lecomte
     J. Chem. Phys. 121 (2004), 644−654
     Cumulative isomerization probability studied by various transition state wave packet methods including the MCTDH algorithm. Benchmark: HCN → CNH

824. H. Köppel
     in: CCP6 booklet on "Quantum dynamics at conical intersections", ed. G. A. Worth and S. C. Althorpe, , (2004)
     Quantum dynamics at conical intersections treated within the multi−mode vibronic coupling approach and its generalizations

825. H. Köppel
     in: Conical Intersections, ed. W. Domcke, D. R. Yarkony and H. Köppel, World Scientific, NJ, Singapore (2004)
     Jahn−Teller and pseudo Jahn−Teller vibronic dynamics

826. H. Köppel, W. Domcke and L. S. Cederbaum
     in: Conical Intersections, ed. W. Domcke, D.R. Yarkony and H. Köppel, World Scientific, NJ, (2004)
     The multi−mode vibronic−Coupling approach

827. H. Köppel
     Faraday Discuss. 127 (2004), 35−47
     Regularized diabatic states and quantum dynamics on intersecting potential energy surfaces

828. H. Köppel, E. V. Gromov and A. B. Trofimov
     Chem. Phys. 304 (2004), 35−49
     Multi−mode multi−state quantum dynamics of key five−membered heterocycles: spectroscopy and ultrafast internal conversion

829. H. Köppel
     in: Conical Intersections, ed. W. Domcke, D. R. Yarkony and H. Köppel, World Scientific, NJ, Singapore (2004)
     Methods for the construction of diabatic electronic states

830. W. Domcke, D. R. Yarkony and H. Köppel, eds.
     Conical Intersections, Advanced Series in Physical Chemistry 15
     World Scientific, NJ, Singapore (2004)
     

831. C. Iung, F. Gatti and H.−D. Meyer
     J. Chem. Phys. 120 (2004), 6992−6998
     Intramolecular Vibrational Energy Redistribution in the highly excited Fluoroform Molecule: A quantum mechanical study using the MCTDH algorithm

832. M. P. Holland, I. Powis, L. Karlsson, A. B. Trofimov, J. Schirmer and W. von Niessen
     Chem. Phys. 297 (2004), 55
     A study of the photoinization dynamics of the cyanogen halides

833. D. J. Haxton, Z. Zhang, H.−D. Meyer, T. N. Rescigno and C. W. McCurdy
     Phys. Rev. A 69 (2004), 062714
     Dynamics of dissociative attachment of electrons to water through the ²B₁ metastable state of the anion.

834. E. V. Gromov, A. B. Trofimov, N. M. Vitkovskaya, H. Köppel, J. Schirmer, H.−D. Meyer and L. S. Cederbaum
     J. Chem. Phys. 121 (2004), 4585
     Theoretical study of excitations in furan: Spectra and molecular dynamics

835. R. Gonzalez and P. Schmelcher
     Physical Review A 69 (2004), 023402
     Rovibrational Spectra of Diatomic Molecules in Strong Electric Fields: The Adiabatic Regime

836. F. Gatti and H.−D. Meyer
     Chem. Phys. 304 (2004), 3−15
     Intramolecular Vibrational Energy Redistribution in Toluene: A nine dimensional Quantum mechanical study using the MCTDH algorithm

837. S. Feuerbach, T. Sommerfeld and L. S. Cederbaum
     J. Chem. Phys. 121 (2004), 6628
     Extrapolating bound state data of anions into the metastable domain

838. S. Feuerbacher, T. Sommerfeld and L. S. Cederbaum
     J. Chem. Phys. 121 (2004), 6624
     Extrapolating bound state data of anions into the metastable domain

839. S. Feuerbacher and L. S. Cederbaum
     J. Chem. Phys. 121 (2004), 5
     Jahn−Teller effect for short−lived states: Study of the complex potential energy surfaces

840. S. Feuerbacher, T. Sommerfeld and L. S. Cederbaum
     J. Chem. Phys. 120 (2004), 3201
     Intersections of potential energy surfaces of short−lived states: The complex analogue of conical intersection

841. P. S. Drouvelis, P. Schmelcher and F. K. Diakonos
     J. Phys. Cond. Mat. 16 (2004), 3633
     Two−Electron Anisotropic Quantum Dots in Magnetic Fields

842. P. S. Drouvelis, P. Schmelcher and F. K. Diakonos
     Phys. Rev. B 69 (2004), 155312
     Probing the Shape of Quantum Dots with Magnetic Fields

843. P. Drouvelis, P. Schmelcher and F. K. Diakonos
     Physical Review B 69 (2004), 035333
     Global View on the Electronic Properties of Two−Electron Anisotropic Quantum Dots

844. A. Dreuw, G. A. Worth, L. S. Cederbaum and M. Head−Gordon
     J. Phys. Chem. B 108 (2004), 19049
     Ultrafast photoinitiated long−range electron transfer in cyclophane−bridge zincporphyrin−quinone complexes via conical intersections

845. L. S. Cederbaum
     in: Conical Intersections, ed. W. Domcke, D.R. Yarkony and H. Köppel, World Scientific, NJ, (2004)
     Born−Oppenheimer approximation and beyond

846. L. S. Cederbaum and A. I. Streltsov
     Phys. Rev. A 70 (2004), 023610
     Self−consistent fragmented excited states of trapped condensates

847. Christoph Cattarius and Hans−Dieter Meyer
     J. Chem. Phys. 121 (2004), 9283−9296
     Multi−dimensional density operator propagations in open systems: Model studies on vibrational relaxation and surfaces sticking processes

848. Ch. Buth, R. Santra and L. S. Cederbaum
     Phys. Rev. A 69 (2004), 032505
     Non−Hermitian Rayleigh−Schrödinger perturbation theory

849. I. Burghardt, L. S. Cederbaum and J. T. Hynes
     Faraday Discuss. 127 (2004), 395
     Environmental effects on a conical intersection: A model study

850. I. Burghardt, K. B. Møller, G. Parlant, L. S. Cederbaum and E. R. Bittner
     Int. J. Quant. Chem. 100 (2004), 1153
     Quantum hydrodynamics: Mixed states, dissipation, and a new hybrid quantum−classical approach

851. M. Bittner and H. Köppel
     J. Phys. Chem. A 108 (2004), 11116
     Quantum dynamical study of beta−hydrogen transfer in two selected late−transition metal complexes

852. I. Baldea, A. K. Gupta, L. S. Cederbaum and N. Moiseyev
     Phys. Rev. B 69 (2004), 245311
     High−harmonic generation by quantum−dot nanorings

853. I. Baldea and H. Köppel
     Eur. Phys. J. D 30 (2004), 209−215
     Three−dimensional vibronic analysis of the B' system of Na₃

854. I. Baldea, H. Köppel and L. S. Cederbaum
     Phys. Rev. B 69 (2004), 075307
     Impact of phonons on quantum phase transitions in nanorings of coupled quantum dots

855. V. Averbukh, I. B. Müller and L. S. Cederbaum
     Phys. Rev. Lett. 93 (2004), 263002
     Mechanism of interatomic Coulombic decay in clusters

856. O. E. Alon, A. I. Streltsov, K. Sakmann and L. S. Cederbaum
     Europhys. Lett. 67 (2004), 8
     Continuous configuration−interaction for condensates in a ring

857. O. A. Al−Hujaj and P. Schmelcher
     Phys. Rev. A 70 (2004), 23411
     Beryllium in Strong Magnetic Fields

858. O. A. Al−Hujaj and P. Schmelcher
     Phys. Rev. A 70 (2004), 033411
     Lithium Atom in a Strong Magnetic Field

859. C. Woywod, S. Scharfe, R. Krawczyk, W. Domcke and H. Köppel
     J. Chem. Phys. 118 (2003), 5880−5893
     Theoretical investigation of Jahn−Teller and pseudo−Jahn−Teller interactions in the ammonia cation

860. A. B. Trofimov, E. V. Gromov, H. Köppel, J. Schirmer, K. C. Prince, R. Richter, M. De Simone and M. Coreno
     J. Phys. B 36 (2003), 3805−3816
     A theoretical study of the ¹B₁(O1s→π^*) and ¹A₁(O1s→3s) excited states of formaldehyde

861. J. Trin, M. Monerville, B. Pouilly and H.−D. Meyer
     J. Chem. Phys. 118 (2003), 600−609
     Photodissociation of the ArHBr complex investigated with the Multi−Configuration Time−Dependent Hartree (MCTDH) approach.

862. A. Thiel, J. Schirmer and H. Köppel
     J. Chem. Phys. 119 (2003), 2088−2101
     An intermediate state representation approach to K−shell ionization in molecules. II. Computational tests

863. A. Streltsov, N. V. Dobrodey and L. S. Cederbaum
     J. Chem. Phys. 119 (2003), 3051
     Charge transfer effects in molecule−negative ion complexes induced by core ionization

864. T. Sommerfeld
     J. Phys. B 36 (2003), L127
     A fresh look at the ²A₁ CO₂⁻ potential energy surface.

865. T. Sommerfeld, S. Feuerbacher, M. Pernpointner and L. S. Cederbaum
     J. Chem. Phys. 118 (2003), 1747
     Electronic structure of isolated dianions

866. P. Schmelcher and L. S. Cederbaum
     in: High Magnetic Fields, ed. F. Herlach and N. Miura, World Scientific, London (2002)
     Atoms and molecules in strong magnetic fields

867. J. Schmidt−Klügmann, H. Köppel, S. Schmatz and P. Botschwina
     Chem. Phys. Lett. 369 (2003), 21−30
     Bilinear Jahn−Teller coupling effects in the methoxy radical: impact on photoelectron spectra and spin−orbit splittings

868. P. Schlagheck, D. Pingel and P. Schmelcher
     Physical Review A 68 (2003), 053410
     Collinear Helium Under Periodic Driving: Stabilization of the Asymmetric Stretch Orbit

869. S. Scheit, L. S. Cederbaum and H.−D. Meyer
     J. Chem. Phys. 118 (2003), 2092−2107
     Time−dependent interplay between electron emission and fragmentation in the interatomic Coulombic decay

870. R. Santra and L. S. Cederbaum
     Phys. Rev. Lett. 90 (2003), 153401
     Coulombic energy transfer and triple ionization in clusters

871. A. W. Potts, D. M. P. Holland, A. B. Trofimov, J. Schirmer, L. Karlsson and K. Siegbahn
     J. Phys. B 36 (2003), 3129
     An experimental and theoretical study of the valence shell photoelectron spectra of purine and pyrimidine molecules

872. M. Pernpointner and L. Visscher
     J. Comp. Chem. 24 (2003), 754
     Parallelization of four−component calculations. II. Symmetry−driven parallelization of the 4−spinor CCSD algorithm

873. M. Nest and H.−D. Meyer
     J. Chem. Phys. 119 (2003), 24
     Dissipative Quantum Dynamics of Anharmonic Oscillators with the Multi−Configuration Time−Dependent Hartree (MCTH) Method

874. I. Müller, R. Santra and L. S. Cederbaum
     Int. J. Quantum. Chem. 94 (2003), 75
     Resonances and pseudoresonances in a potential with attractive Coulomb tail: A study using analytic−continuation techniques

875. B. S. Monozon and P. Schmelcher
     Journal of Physics: Condensed Matter 15 (2003), 2725
     D⁻ Centre in a Quantum Well in the Presence of Parallel Electric and Strong Magnetic Fields

876. B. S. Monozon and P. Schmelcher
     Physical Review B 67 (2003), 045203
     Impurity Center in a Semiconductor Quantum Ring in the Presence of Crossed Magnetic and Electric Fields

877. H.−D. Meyer and G. A. Worth
     Theor. Chem. Acc. 109 (2003), 251−267
     Quantum molecular dynamics: Propagating wavepackets and density operators using the Multi−configuration time−dependent Hartree (MCTDH) method

878. C. W. McCurdy, W. A. Isaacs, H.−D. Meyer and T. N. Rescigno
     Phys. Rev. A 67 (2003), 042708−1−19
     Resonant vibrational excitation of CO₂ by electron impact: Nuclear dynamics on the coupled components of the ²Π_u resonance

879. N. V. Kryzhevoi, N. V. Dobrodey and L. S. Cederbaum
     J. Chem. Phys. 118 (2003), 2081
     Equivalent core model: Extended theory and applications

880. N. V. Kryzhevoi, N. V. Dobrodey and L. S. Cederbaum
     J. Chem. Phys. 119 (2003), 12138
     Core−hole Hamiltonians and corrected equivalent core model for systems with equivalent atoms

881. H. Köppel, I. Baldea and P. G. Szalay
     Adv. in Quantum Chem. 44 (2003), 200−217
     Combined Jahn−Teller and pseudo Jahn−Teller effects in the benzene radical cation

882. E. V. Gromov, A. B. Trofimov, N. M. Vitkovskaya, J. Schirmer and H. Köppel
     J. Chem. Phys. 119 (2003), 737−753
     Theoretical study of the low−lying excited singlet states of furan

883. R. Gonzalez and P. Schmelcher
     European Physical Journal D 23 (2003), 189
     The Sodium Atom in a Strong Magnetic Field

884. S. Feuerbacher and L. S. Cederbaum
     J. Am. Chem. Soc. 125 (2003), 9531
     Influence of delocalization on the stability of dianions: Study of a systematic series of dianions with growing electronic localization

885. S. Feuerbacher, T. Sommerfeld, R. Santra and L. S. Cederbaum
     J. Chem. Phys. 118 (2003), 6188
     Complex absorbing potentials in the framework of electron propagator theory. II. Application to temporary anions.

886. P. S. Drouvelis, P. Schmelcher and F. K. Diakonos
     Europhysics Letters 64 (2003), 232
     Two−Electron Anisotropic Quantum Dots

887. L. S. Cederbaum and A. I. Streltsov
     Phys. Lett. A 318 (2003), 564
     Best mean−field for condensates

888. L. S. Cederbaum and N. Moiseyev
     Is. J. Chem. 43 (2003), 267
     On the collapse and restoration of condensates in n dimensions in the mean−field approximation

889. L. S. Cederbaum, R. S. Friedman, V. M. Ryaboy and N. Moiseyev
     Phys. Rev. Lett. 90 (2003), 013001
     Conical intersections and bound states in the continuum

890. Ch. Buth, R. Santra and L. S. Cederbaum
     J. Chem. Phys. 119 (2003), 7763
     Ionization of the xenon fluorides

891. Ch. Buth, R. Santra and L. S. Cederbaum
     J. Chem. Phys. 119 (2003), 10575
     Impact of interatomic electronic decay processes on Xe4d hole decay in the xenon fluorides

892. J. Breidbach and L. S. Cederbaum
     J. Chem. Phys. 118 (2003), 3983
     Migration of holes: Formalism, mechanisms, and illustrative applications

893. M. Bittner and H. Köppel
     Phys. Chem. Chem. Phys. 5 (2003), 4604−4611
     Reaction path description of the vinylidene−acetylene isomerization

894. V. G. Bezchastnov, P. Schmelcher and L. S. Cederbaum
     Phys. Chem. Chem. Phys. 5 (2003), 4981
     Magnetically induced anions

895. V. G. Bezchastnov and L. S. Cederbaum
     Phys. Rev. A 68 (2003), 012501
     Moving magnetically induced anions: Possibility of a description of quantum states

896. O. E. Alon and L. S. Cederbaum
     in: Fundamental World of Quantum Chemistry, ed. E. J. Brändas and E. S. Kryachko, Kluwer, Dordrecht (2003)
     Green function for elastic scattering from open−shell many−body targets

897. O. E. Alon
     J. Phys.: Conds. Matt. 14 (2003), 2489
     From spatial symmetry to vibrational spectroscopy of single−walled nanotubes

898. O. E. Alon
     Phys. Rev. B 67 (2003), 121103
     Bulk photogalvanic effects beyond second order

899. O. E. Alon and L. S. Cederbaum
     Phys. Rev. B 68 (2003), 033105
     Hellman−Feynman theorem at degeneracies

900. O. A. Al−Hujaj and P. Schmelcher
     Physical Review A 68 (2003), 053403
     Electromagnetic Transitions of the Helium Atom in Superstrong Magnetic Fields

901. O. A. Al−Hujaj and P. Schmelcher
     Physical Review A 67 (2003), 023403
     The Helium Atom in Superstrong Magnetic Fields

902. N. Zint, A. Dreuw and L. S. Cederbaum
     J. Am. Chem. Soc. 124 (2002), 4910
     Gas−phase stability of derivatives of the closo−hexaborate dianion B₆H₆²⁻

903. M. N. R. Wohlfarth and L. S. Cederbaum
     J. Chem. Phys. 116 (2002), 8723
     Systematic corrections to the equivalent core model

904. M. N. R. Wohlfarth and L. S. Cederbaum
     Phys. Rev. A 65 (2002), 052703
     Ionization of core electrons

905. R. Wesendrup, G. E. Moyano, M. Pernpointner and P. Schwerdtfeger
     J. Chem. Phys. 117 (2002), 7506
     Geometry Optimization of Triply Charged Yttrium−Doped Helium Clusters He_nY³⁺

906. A. B. Trofimov, G. Stelter and J. Schirmer
     J. Chem. Phys. 117 (2002), 6402
     Electron excitation energies using a consistent third−order propagator approach: Comparison with full configuration interaction and coupled cluster results

907. A. B. Trofimov, J. Schirmer, D. M. P. Holland, A. W. Potts, L. Karlsson, R. Maripuu and K. Siegbahn
     J. Phys. B 35 (2002), 5051
     The influence of electron correlation and relativistic effects on the valence shell photoelectron spectrum of iodothiophene

908. S. Sukiasyan and H.−D. Meyer
     J. Chem. Phys. 116 (2002), 10641−10647
     Reaction cross section for the H+D₂ (ν₀=1) → HD+D and D+H₂ (ν₀=1) → DH+H systems. A multi−configuration time−dependent Hartree (MCTDH) wave−packet propagation study.

909. T. Sommerfeld
     PCCP 4 (2002), 2511
     Coupling between dipole−bound and valence states: the Nitromethane anion

910. T. Sommerfeld and H.−D. Meyer
     J. Phys. B 35 (2002), 1841
     Computing the energy−dependent width of temporary anions from L² ab initio methods

911. T. Sommerfeld
     J. Am. Chem. Soc. 124 (2002), 1119
     A fresh look at aromatic dianions

912. R. Santra and L. S. Cederbaum
     J. Chem. Phys. 117 (2002), 5511
     Complex absorbing potentials in the framework of electron propagator theory. I. General formalism

913. R. Santra and L. S. Cederbaum
     Phys. Rep. 368 (2002), 1
     Non−Hermitian electronic theory and applications to clusters

914. T. N. Rescigno, W. A. Isaacs, A. E. Orel, H.−D. Meyer and C. W. McCurdy
     Phys. Rev. A 65 (2002), 32716
     Theoretical study of resonant excitation of CO₂ by electron impact

915. M. Pernpointner
     in: Relativistic Quantum Chemistry, ed. P. Schwerdtfeger, Elsevier Science Publishers, Amsterdam (2002)
     Accurate Determination of Electric Field Gradients for Heavy Atoms and Molecules

916. M. Pernpointner
     J. Phys. B: At. Mol. Opt. Phys. 35 (2002), 383
     The effect of the Gaunt interaction on the electric field gradient

917. P. K. Papachristou, F. K. Diakonos, V. Constantoudis, P. Schmelcher and L. Benet
     Physics Letters A 306 (2002), 116
     Classical Scattering From an Oscillating Target

918. M. Nest and H.−D. Meyer
     Chem. Phys. Lett. 352 (2002), 486−490
     Improving the mapping mechanism of the mapped Fourier method

919. M. Nest and H.−D. Meyer
     J. Chem. Phys. 117 (2002), 10499−10505
     Benchmark calculations on high−dimensional Henon−Heiles potentials with the Multi−Configuration Time−Dependent Hartree (MCTDH) Method

920. H. Nauendorf, G. A. Worth, H.−D. Meyer and O. Kühn
     J. Phys. Chem. 106 (2002), 719−724
     Multi−configuration time−dependent Hartree Dynamics on an ab initio Reaction Surface: Ultrafast Laser−Driven Proton Motion in Phthalic Acid Monomethylester.

921. I. B. Müller, J. Zobeley and L. S. Cederbaum
     J. Chem. Phys. 117 (2002), 1085
     Comparison of electronic decay of valence ionized fluorinated carbanions and their acids

922. H. Köppel, M. Döscher, I. Baldea, H.−D. Meyer and P. G. Szalay
     J. Chem. Phys. 117 (2002), 2657−2671
     Multistate vibronic interactions in the benzene radical cation. II. Quantum dynamical simulations

923. A. M. Kenis, L. S. Cederbaum and N. Moiseyev
     J. IEEE Quantum Electron., 38 (2002), 1638
     Enhancement of power transfer in periodic array of optical waveguides via intermediate Bloch states

924. M. V. Ivanov and P. Schmelcher
     Physical Review B 65 (2002), 205313
     Two−Dimensional Negative Donors in Magnetic Fields

925. D. M. P. Holland, A. W. Potts, L. Karlsson, A. B. Trofimov and J. Schirmer
     J. Phys. B 35 (2002), 1741
     The influence of shape resonance phenomena on the valence shell photoionization dynamics of silicon tetrafluoride

926. H. Gnaser, A. Dreuw and L. S. Cederbaum
     J. Chem. Phys. 117 (2002), 7002
     Discovery of a new class of stable gas−phase dianions: Mixed oxygen−carbon cluster (n=5−19)

927. R. S. Friedman, I. Podzielinski, L. S. Cederbaum, V. M. Ryaboy and N. Moiseyev
     J. Phys. Chem. A 106 (2002), 4320
     Vibronic resonances arising from conically intersecting electronic states

928. D. J. Frantzeskakis, G. Theocharis, F. K. Diakonos, P. Schmelcher and Yu. S. Kivshar
     Physical Review A 66 (2002), 053608
     Interaction of Dark Solitons with Localized Impurities in Bose−Einstein Condensates

929. S. Feuerbacher, A. Dreuw and L. S. Cederbaum
     J. Am. Chem. Soc. 124 (2002), 3163
     Cyclic carbon cluster dianions and their aromaticity

930. A. Dreuw, T. Sommerfeld and L. S. Cederbaum
     J. Chem. Phys. 116 (2002), 6039
     Short− and long−lived electronic states of BF⁻

931. A. Dreuw and L. S. Cederbaum
     in: Theoretical Prospects of Negative Ions, ed. J. Kalcher, Research Signpost, Kerala (2002)
     Free stable and long−lived multiply charged anions

932. A. Dreuw and L. S. Cederbaum
     Chem. Rev. 102 (2002), 181
     Multiply charged anions in the gas phase

933. A. Dreuw, H. Schweinsberg and L. S. Cederbaum
     J. Phys. Chem. A 106 (2002), 1406
     Long−lived gas−phase dianions containing tetrahedrally coordinated oxygen atoms: O(BN)₄²⁻ and O(C₂)₄²⁻

934. A. Dreuw, N. Zint and L. S. Cederbaum
     J. Am. Chem. Soc. 124 (2002), 10903
     Dianionic tetraborates do exist as stable entities

935. M. Döscher, H. Köppel and P. G. Szalay
     J. Chem. Phys. 117 (2002), 2645−2656
     Multistate vibronic interactions in the benzene radical cation. I. Electronic structure calculations

936. N. V. Dobrodey, A. I. Streltsov, L. S. Cederbaum, C. Villani and F. Tarantelli
     J. Chem. Phys. 117 (2002), 3533
     Foreign and native coordination effects in core−level spectra of mixed Be−Mg clusters

937. N. V. Dobrodey, A. I. Streltsov and L. S. Cederbaum
     Phys. Rev. A 65 (2002), 23203
     Strong interatomic effects accompanying core ionization of atomic clusters

938. N. V. Dobrodey, A. I. Streltsov and L. S. Cederbaum
     Phys. Rev. A 65 (2002), 22501
     Core ionized states and spectra of Be and Mg dimers

939. N. V. Dobrodey, A. I. Streltsov, L. S. Cederbaum, C. Villani and F. Tarantelli
     Phys. Rev. B 66 (2002), 165103
     Strong charge−transfer effects in the Mg2p−1 core−level spectrum of MgB2

940. V. Brems, T. Beyer, B. M. Nestmann, H.−D. Meyer and L. S. Cederbaum
     J. Chem. Phys. 117 (2002), 10635−10647
     Ab initio study of the resonant electron attachment to the F₂ molecule

941. V. G. Bezchastnov, P. Schmelcher and L. S. Cederbaum
     Phys. Rev. A 65 (2002), 042512
     Magnetically induced anions: Classical dynamics

942. V. G. Bezchastnov, L. S. Cederbaum and P. Schmelcher
     Phys. Rev. A 65 (2002), 032501
     Magnetically induced anions: Basic theory

943. W. Becken and P. Schmelcher
     Physical Review A 65 (2002), 033416
     Electromagnetic Transitions of the Helium Atom in Strong Magnetic Fields

944. I. Baldea and L. S. Cederbaum
     . Phys. Rev. Lett. 89 (2002), 133003
     Orbital picture of ionization and its breakdown in nanoarrays of quantum dots

945. O. E. Alon and L. S. Cederbaum
     J. Phys. A 35 (2002), L 303
     Scattering from open−shell many−body targets

946. J. Zobeley, R. Santra and L. S. Cederbaum
     J. Chem. Phys. 115 (2001), 5076
     Electronic decay in weakly bound heteroclusters: Energy transfer versus electron transfer

947. G. A. Worth and L. S. Cederbaum
     Chem. Phys. Lett. 348 (2001), 477
     Electron transfer along a conjugated chain: the allene radical cation

948. G. A. Worth and L. S. Cederbaum
     Chem. Phys. Lett. 338 (2001), 219
     Mediation of ultrafast electron transfer in biological systems by conical intersections

949. A. B. Trofimov, J. Schirmer, D. M. P. Holland, L. Karlsson, R. Maripuu, K. Siegbahn and A. W. Potts
     Chem. Phys. 263 (2001), 167
     An experimental and theoretical study of the valence shell photoelectron spectra of thiophene, 2−chlorothiophene and 3−chlorothiophene

950. A. B. Trofimov, T. E. Moskovskaya, E. V. Gromov, H. Köppel and J. Schirmer
     Phys. Rev. A 64 (2001), 022504
     Theoretical study of K−shell excitations in formaldehyde

951. S. Sukiasyan and H.−D. Meyer
     J. Phys. Chem. A 105 (2001), 2604−2611
     On the effect of initial rotation on reactivity. A multi−configuration time−dependent Hartree (MCTDH) wave−packet propagation study on the H+D₂ and D+H₂ reactive scattering systems.

952. T. Sommerfeld
     Computer Phys. Comm. 2 (2001), 677
     Electron−induced chemistry of 5−Chlorouracil

953. T. Sommerfeld
     PCCP 3 (2001), 2394
     FCN⁻ and FNC⁻ radical anions

954. T. Sommerfeld and R. Santra
     Int. J. Quant. Chem. 82 (2001), 218
     An efficient method to perform CAP/CI calculations for temporary anions

955. R. Schork and H. Köppel
     Phys. Chem. Chem. Phys. 3 (2001), 891−894
     Theoretical investigation of the photoelectron spectra of the vinylidene anions

956. R. Schork and H. Köppel
     J. Chem. Phys. 115 (2001), 7907−7923
     Barrier recrossing in the vinylidene−acetylene isomerization reaction: A five−dimensional ab initio quantum dynamical investigation

957. P. Schmelcher
     Physical Review A 64 (2001), 063412
     Giant Dipole States of Multi−Electron Atoms in Crossed Fields

958. P. Schmelcher, T. Detmer and L. S. Cederbaum
     Phys. Rev. A 64 (2001), 023410
     Excited states of the hydrogen molecule in magnetic fields: The triplet states of the parallel configuration

959. J. Schirmer and A. Thiel
     J. Chem. Phys. 115 (2001), 10621
     An intermediate state representation approach to K−shell ionization in molecules. I. Theory

960. R. Santra and L. S. Cederbaum
     J. Chem. Phys. 115 (2001), 6853
     An efficient combination of computational techniques for investigating electronic resonance states in molecules

961. R. Santra, J. Zobeley, L. S. Cederbaum and F. Tarantelli
     J. Electr. Spetr. Relat. Phen. 114 (2001), 41
     Intermolecular Coulombic decay of clusters

962. R. Santra, J. Zobely and L. S. Cederbaum
     Phys. Rev. B 64 (2001), 245104
     Electronic decay of valence holes in clusters and condensed matter

963. A. W. Potts, A. B. Trofimov, J. Schirmer, D. M. P. Holland and L. Karlsson
     Chem. Phys. 271 (2001), 337
     An experimental and theoretical study of the valence shell photoelectron spectra of 2−bromothiophene and 3−bromothiophene

964. D. Pingel, P. Schmelcher and F. K. Diakonos
     Physical Review E 64 (2001), 026214
     Detecting Unstable Periodic Orbits in Chaotic Continuous−Time Dynamical Systems

965. B. Monozon and P. Schmelcher
     Superlattices and Microstructures 29 (2001), 379
     Decay of Charged Complexes in Quasi−2D Semiconductor Structures in the Presence of Electric Fields

966. B. Monozon and P. Schmelcher
     Journal of Physics: Condensed Matter 13 (2001), 3727
     Charged Donor in a Narrow Quantum Well in the Presence of in Plane Crossed Magnetic and Electric Fields

967. N. Moiseyev, R. Santra, J. Zobeley and L. S. Cederbaum
     J. Chem. Phys. 114 (2001), 7351
     Fingerprints of the nodal structure of autoionizating vibrational wave functions in clusters: Interatomic Coulombic decay in Ne dimer

968. K. Malsch, G. Hohlneicher, R. Schork and H. Köppel
     Phys. Chem. Chem. Phys. 3 (2001), 5393−5407
     A quantum dynamical investigation of the vibronic structure of singlet and triplet spectra of acetylene

969. S. Mahapatra, G. A. Worth, H. −D. Meyer, L. S. Cederbaum and H. Köppel
     J. Phys. Chem. A 105 (2001), 5567−5576
     The A²E B²B₂ photoelectron bands of allene beyond the linear coupling scheme: An ab initio dynamical study including all fifteen vibrational modes

970. S. Mahapatra, H. Köppel and L. S. Cederbaum
     J. Phys. Chem. A 105 (2001), 2321
     Reactive scattering dynamics on conically intersecting potential energy surfaces: The H+H₂ exchange reaction

971. H. Köppel, J. Gronki and S. Mahapatra
     J. Chem. Phys. 115 (2001), 2377−2388
     Construction scheme for regularized diabatic states

972. S. Jordan, P. Schmelcher and W. Becken
     Astronomy and Astrophysics 376 (2001), 614
     Stationary Components of He I in Strong Magnetic Fields − a Tool to Identify Magnetic DB White Dwarfs

973. M. V. Ivanov and P. Schmelcher
     Advances in Quantum Chemistry 40 (2001), 361
     Finite−Difference Calculations for Atoms and Diatomic Molecules in Strong Magnetic and Static Electric Fields

974. M. V. Ivanov and P. Schmelcher
     European Physical Journal D 14 (2001), 279
     The Beryllium Atom and Beryllium Positive Ion in Strong Magnetic Fields

975. M. V. Ivanov and P. Schmelcher
     Journal of Physics B 34 (2001), 2031
     The Boron Atom and Boron Positive Ion in Strong Magnetic Fields

976. M.−C. Heitz and H.−D. Meyer
     J. Chem. Phys. 114 (2001), 1382−1392
     Rotational and diffractive inelastic scattering of a diatom on a corrugated surface: A multiconfiguration time−dependent Hartree (MCTDH) study on N₂/LiF(001)

977. F. Gatti, M. H. Beck, G. A. Worth and H.−D. Meyer
     PCCP 3 (2001), 1576−1582
     A hybrid approach of the multi−configuration time−dependent Hartree and filter−diagonalisation methods for computing bound−state spectra. Application to HO₂.

978. A. Dreuw and L. S. Cederbaum
     J. Phys. Chem. A 105 (2001), 10577
     Electron emission from N(BF₃)₄³− hindered by a sphere of negative charges

979. A. Dreuw and L. S. Cederbaum
     Phys. Rev. A 63 (2001), 049904
     Nature of the repulsive Coulomb barrier in multiply charged negative ions

980. A. Dreuw and L. S. Cederbaum
     Phys. Rev. A 63 (2001), 012501
     Nature of the repulsive Coulomb barrier in multiply charged negative ions

981. N. Dobrodey, A. I. Streltsov and L. S. Cederbaum
     Chem. Phys. Lett. 339 (2001), 263
     Interatomic response to core ionization of atomic clusters

982. M. S. Deleuze, A. B. Trofimov and L. S. Cederbaum
     J. Chem. Phys. 115 (2001), 5859
     Valence one−electron and shake−up ionization bands of polycyclic aromatic hydrocarbons: Benzene, naphthalene, anthracene, naphthacene and pentacene

983. L. S. Cederbaum
     Ann. Phys. (N.Y.) 291 (2001), 169
     Optical potential and propagators for elastic and inelastic scattering from many−body targets

984. Chr. Cattarius, G. A. Worth, H.−D. Meyer and L. S. Cederbaum
     J. Chem. Phys. 115 (2001), 2088−2100
     All mode dynamics at the conical intersection of an octa−atomic molecule: Multi−configuration time−dependent Hartree MCTDH investigation on the butatriene cation

985. I. Burghardt and L. S. Cederbaum
     J. Chem. Phys. 115 (2001), 10312
     Hydrodynamic equations for mixed quantum states. II. Coupled electronic states

986. I. Burghardt and L. S. Cederbaum
     J. Chem. Phys. 115 (2001), 10303
     Hydrodynamic equations for mixed quantum states. I. General formulation

987. J. Brand and L. S. Cederbaum
     Adv. Quant. Chem. 38 (2001), 65
     Theory of extended two−particle Green's functions

988. V. G. Bezchastnov, L. S. Cederbaum and P. Schmelcher
     Phys. Rev. Lett. 86 (2001), 5450
     Stability of negatively charged ions moving in magnetic field

989. M. H. Beck and H.−D. Meyer
     J. Chem. Phys. 114 (2001), 2036−2046
     Efficiently computing bound−state spectra: A hybrid approach of the multi−configuration time−dependent Hartree and filter−diagonalization methods.

990. W. Becken and P. Schmelcher
     Physical Review A 63 (2001), 053412
     Higher Angular Momentum States of the Helium Atom in a Strong Magnetic Field

991. I. Baldea, H. Köppel and L. S. Cederbaum
     Synthetic Metals 119 (2001), 561
     Tunneling−driven quantum phase transitions in mesoscopic commensurate systems

992. I. Baldea, H. Köppel and L. S. Cederbaum
     Eur. Phys. J. B 20 (2001), 289
     Collective quantum tunneling of strongly correlated electrons in commensurate mesoscopic rings

993. I. Baldea, H. Köppel and L. S. Cederbaum
     Phys. Rev. B 63 (2001), 155308
     Symmetry−adapted BCS−type trial wave functions for mesoscopic rings

994. P. Winkler and L. S. Cederbaum
     Phys. Rev. A 61 (2000), 52701
     Inelastic propagators for nonelectronic−projectile − electronic−target interactions: Analysis of the leading contributions

995. A. B. Trofimov, E. V. Gromov, T. E. Moskovskaya and J. Schirmer
     J. Chem. Phys. 113 (2000), 6716
     Theoretical evidence for a bound doubly−excited ¹B₂(C1s,n→π^*2) state in H₂CO below the C1s ionization threshold

996. T. Sommerfeld
     Phys. Rev. Lett. 85 (2000), 956
     On resonance states of atomic di−anions

997. T. Sommerfeld
     J. Phys. Chem. A 104 (2000), 8806
     Lifetimes of metastable dianions: CN₂²⁻, C₄²⁻, and CO₃²⁻

998. T. Sommerfeld, F. Tarantelli, H.−D. Meyer and L. S. Cederbaum
     J. Chem. Phys. 112 (2000), 6635−6642
     Ab inito calculation of energies and lifetimes of metastable dianions: The C₂⁻² resonance.

999. T. Sommerfeld and F. Tarantelli
     J. Chem. Phys. 112 (2000), 2106
     Subspace Iteration Techniques for the Calculation of Resonances using Complex Symmetric Hamiltonians

1000. R. Schork and H. Köppel
      Chem. Phys. Lett. 326 (2000), 277−282
      Unexpected stability of vinylidene from 5D ab initio quantum−dynamical calculations

1001. P. Schmelcher, T. Detmer and L. S. Cederbaum
      Phys. Rev. A 61 (2000), 43411
      Excited states of the hydrogen molecule in magnetic fields: The singlet Σ states of the parallel configuration

1002. P. Schmelcher and L. S. Cederbaum
      Comments on Atomic and Molecular Physics D2 (2000), 123
      Magnetic field induced two−body phenomena in atoms

1003. R. Santra, J. Breidbach, J. Zobeley and L. S. Cederbaum
      J. Chem. Phys. 112 (2000), 9243
      Parallel filter diagnonalization: A novel method to resolve quantum states in dense spectral regions

1004. R. Santra, J. Zobeley, L. S. Cederbaum and N. Moiseyev
      Phys. Rev. Lett. 85 (2000), 4490
      Interatomic Coulombic decay in van der Waals clusters and impact of nuclear dynamics

1005. R. Santra, J. Zobeley and L. S. Cederbaum
      Chem. Phys. Lett. 324 (2000), 416
      Inner−valence ionization of molecular anions and ultrafast relaxation by electron emission

1006. A. Raab and H.−D. Meyer
      Theor. Chem. Acc. 104 (2000), 358−369
      Multiconfigurational expansions of density operators: equations of motion and their properties

1007. A. Raab and H.−D. Meyer
      J. Chem. Phys. 112 (2000), 10718−10729
      A numerical study on the performance of the multiconfiguration time−dependent Hartree method for density operators.

1008. D. Pingel, P. Schmelcher, F. K. Diakonos and O. Biham
      Physical Review E 62 (2000), 2119
      Theory and Applications of the Systematic Detection of Unstable Periodic Orbits in Dynamical Systems

1009. V. S. Melezhik and P. Schmelcher
      Physical Review Letters 84 (2000), 1870
      Quantum Energy Flow in Atomic Ions Moving in Magnetic Fields

1010. S. A. Malinovskaya and L. S. Cederbaum
      Int. J. Quant. Chem. 80 (2000), 950
      The role of coherence and time in the mechanism of dynamical symmetry breaking and localization

1011. S. A. Malinovskaya and L. S. Cederbaum
      Phys. Rev. A 61 (2000), 42706
      Violation of electronic optical selection rules in X−ray emission by nuclear dynamics: Time−dependent formulation

1012. S. Mahapatra, H. Köppel, L. S. Cederbaum, P. Stampfuß and W. Wenzel
      Chem. Phys. 259 (2000), 211−226
      Nonadiabatic wave packet dynamics on the coupled X²A₁/A²B₂ electronic states of NO₂ based on new ab initio potential energy surfaces

1013. H. Köppel, M. Döscher and S. Mahapatra
      Int. J. Quant. Chem. 80 (2000), 942−949
      Femtosecond wavepacket dynamics on strongly coupled potential energy surfaces

1014. M. V. Ivanov and P. Schmelcher
      Physical Review A 61 (2000), 022505
      Ground States of the Atoms H, He,..., Ne and their Singly Positive Ions in Strong Magnetic Fields: The High Field Regime

1015. U. Höper, P. Botschwina and H. Köppel
      J. Chem. Phys. 112 (2000), 4132−4142
      Theoretical study of the Jahn−Teller effect in X²E CH₃O

1016. D. M. P. Holland, D. A. Shaw, L. Karlsson, L. G. Shpinkova, L. Cooper, A. B. Trofimov and J. Schirmer
      Molecular Phys. 98 (2000), 1939
      An experimental and theoretical investigation of the valence shell photoelectron spectrum of cyanogen chloride

1017. A. Dreuw and L. S. Cederbaum
      J. Chem. Phys. 112 (2000), 7400
      Tunneling lifetimes of metastable and binding properties of stable covalent BeCn2− (n=4,6) dianions

1018. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
      Phys. Rev. B 61 (2000), 7336
      Local and nonlocal effects in the core ionization of metal−molecule adsorbates and cluster systems

1019. F. K. Diakonos, D. Pingel and P. Schmelcher
      Physical Review E 62 (2000), 4413
      Analyzing Lyapunov Spectra of Chaotic Dynamical Systems

1020. M. S. Deleuze, M. G. Giuffreda, J.−P. Francois and L. S. Cederbaum
      J. Chem. Phys. 112 (2000), 5325
      Valence one−electron and shake−up ionization bands of carbon clusters. II. The C_n (n = 4,6,8,10) rings

1021. M. S. Deleuze, M. G. Giuffreda, J.−P. Francois and L. S. Cederbaum
      J. Phys. Chem. A 104 (2000), 1130
      Ionization bands and electron affinities of mixed boron−nitrogen B_nC_n clusters (n = 3,4,5)

1022. M. Cizek, J. Horacek and H.−D. Meyer
      Computer Phys. Comm. 131 (2000), 41−51
      Schwinger−Lanczos algorithm for calculating off−shell T−matrix elements and Wynn's epsilon algorithm.

1023. L. S. Cederbaum
      Phys. Rev. Lett. 85 (2000), 3072
      Optical Potentials for inelastic scattering from many−body targets

1024. V. G. Bezchastnov, P. Schmelcher and L. S. Cederbaum
      Phys. Rev. A 61 (2000), 52512
      Bound states of negatively charged ions induced by a magnetic field

1025. W. Becken and P. Schmelcher
      Journal of Physics B 33 (2000), 545
      Nonzero Angular Momentum States of the Helium Atom in Strong Magnetic Fields

1026. W. Becken and P. Schmelcher
      Journal of Computational and Applied Mathematics 126 (2000), 449
      The Analytical Continuation of the Gaussian Hypergeometric Function ₂F₁(a,b;c;z) for Arbitrary Parameters

1027. M. H. Beck, A. Jäckle, G. A. Worth and H.−D. Meyer
      Physics Reports 324 (2000), 1−105
      The multiconfiguration time−dependent Hartree (MCTDH) method: A highly efficient algorithm for propagating wavepackets.

1028. I. Baldea, H. Köppel and L. S. Cederbaum
      Solid State Comm. 115 (2000), 593−597
      Tunneling−driven quantum phase transitions in mesoscopic commensurate systems of strongly correlated electrons

1029. N. F. Allard, J. Kielkopf, I. Drira and P. Schmelcher
      European Physical Journal D 12 (2000), 263
      Collision−Induced Satellite in Lyman Profile Due to H−H Collisions

1030. O.−A. Al−Hujaj and P. Schmelcher
      Physical Review A 61 (2000), 063413
      Ground and Excited States of the Hydrogen Negative Ion in Strong Magnetic Fields

1031. J. Zobeley, L. S. Cederbaum and F. Tarantelli
      J. Phys. Chem. A 103 (1999), 11145
      Intermolecular Coulombic decay of molecular clusters: Identification of the decay mechanism using a new hole−population analysis

1032. G. A. Worth, H.−D. Meyer and L. S. Cederbaum
      Chem. Phys. Lett. 299 (1999), 451
      State filtering by a bath: up to 24 mode numerically exact wave packet propagations

1033. A. B. Trofimov, G. Stelter and J. Schirmer
      J. Chem. Phys. 111 (1999), 9982−9999
      A consistent third−order propagator method for electronic excitation.

1034. A. Thiel and H. Köppel
      J. Chem. Phys. 110 (1999), 9371−9383
      Proposal and numerical test of a simple diabatization scheme.

1035. T. Sommerfeld
      Chem. Phys. Lett. 304 (1999), 98
      On Long−lived HCCH⁻ States

1036. H. −D. Schulte, L. S. Cederbaum and F. Tarantelli
      Phys. Rev. A 60 (1999), 2047
      Valence−hole localization in core−valence doubly ionized states of ionic molecules and its impact on KLV Auger spectroscopy

1037. J. Schön and H. Köppel
      J. Phys. Chem. 103 (1999), 8579−8584
      Excitation of pseudorotational vibronic motion through fs pump−probe spectroscopy: a 2D computational study

1038. P. Schmelcher, M. V. Ivanov and W. Becken
      Phys. Rev. A. 59 (1999), 3424
      Exchange and Correlation Energies of Atoms and Molecules in Strong Magnetic Fields.

1039. R. Santra, L. S. Cederbaum and H.−D. Meyer
      Chem. Phys. Lett. 303 (1999), 413
      Electronic decay of molecular clusters: non stationary states by standard quantum chemistry methods

1040. A. Raab, G. A. Worth, H.−D. Meyer and L. S. Cederbaum
      J. Chem. Phys. 110 (1999), 936−946
      Molecular dynamics of pyrazine after excitation to the S2 electronic state using a realistic 24−mode model hamiltonian.

1041. A. Raab, I. Burghardt and H.−D. Meyer
      J. Chem. Phys. 111 (1999), 8759
      The multiconfiguration time−dependent Hartree method generalized to the propagation of density operators.

1042. D. Pingel, P. Schmelcher and F. K. Diakonos
      CHAOS 9 (1999), 357
      General Theory and Examples of the Inverse Frobenius−Perron Problem.

1043. E. Pahl, J. Brand, L. S. Cederbaum and F. Tarantelli
      Phys. Rev. A 60 (1999), 1079
      Impact of narow−band excitation on resonant decay spectra

1044. E. Pahl, L. S. Cederbaum and F. Tarantelli
      Phys. Rev. A 60 (1999), 1070
      Resonant decay spectra for energetically unselective excitation exemplified by the broadband resonant Auger spectrum of HF

1045. B. S. Monozon and P. Schmelcher
      Superlattices and Microstructures 26 (1999), 229
      An Exciton in a Quantum Well in the Presence of Crossed Electric and Strong Magnetic Fields

1046. N. Moiseyev and L. S. Cederbaum
      J. Phys. B 32 (1999), L279
      Suppression of electron correlation and of autoionization by strong laser fields

1047. V. S. Melezhik and P. Schmelcher
      Phys. Rev. A. 59 (1999), 4264
      Magnetic Field Stimulated Transitions of Excited States in Fast Muonic Helium Ions.

1048. V. S. Melezhik and P. Schmelcher
      Hyperfine Interactions 119 (1999), 147
      Magnetic Field Stimulated Transitions of Excited States in Fast Muonic Helium Ions

1049. S. Mahapatra, H. Köppel and L. S. Cederbaum
      J. Chem. Phys. 110 (1999), 5691−5701
      Impact of nonadiabatic coupling between the conically intersecting X²A₁ and A²B₂ states of NO₂ on the negative ion photoelectron spectra of NO⁻₂.

1050. S. Mahapatra and H. Köppel
      Chem. Phys. Lett. 306 (1999), 387−394
      Semiclassical approch to the Rydberg emission spectra of H₃ and its isotopomers.

1051. S. Mahapatra, L. S. Cederbaum and H. Köppel
      J. Chem. Phys. 111 (1999), 10452−10463
      Theoretical investigation of Jahn−Teller and pseudo Jahn−Teller coupling effects on the photoelectron spectrum of allene

1052. A. Jäckle, M.−C. Heitz and H.−D. Meyer
      J. Chem. Phys. 110 (1999), 241−248
      Reaction cross section for the H + D₂ (v=0,1) system for collision energies up to 2.5 eV. A multi−configuration time−dependent Hartree (MCTDH) wave packet calculation.

1053. M. V. Ivanov and P. Schmelcher
      Physical Review A 60 (1999), 3558
      The Ground State of the Carbon Atom in Strong Magnetic Fields

1054. M. Ingr, H.−D. Meyer and L. S. Cederbaum
      J. Phys. B. 32 (1999), L547
      Potential energy curve of the X²Σ_u⁺ resonance state of F₂⁻ computed by CAP/CI.

1055. A. Golod, M. S. Deleuze and L. S. Cederbaum
      J. Chem. Phys. 110 (1999), 6014
      Valence correlation bands of model oligomers of polyethylene: A Green's function study by the band−Lanczos approach

1056. Dreuw and L. S. Cederbaum
      J. Phys. B 32 (1999), L 665
      Long−lived high−spin states of CO2−: loosely bound complexes between C− and O2

1057. A. Dreuw and L. S. Cederbaum
      Phys. Rev. A 59 (1999), 2702
      Long−lived high−spin states of small anions: ⁶Π state of CO⁻.

1058. A. Dreuw and L. S. Cederbaum
      Int. J. Mass Spec. 188 (1999), 199−204
      Long−lived high−spin sextet states of N₂⁻

1059. A. Dreuw and L. S. Cederbaum
      J. Chem. Phys. 111 (1999), 1467
      Anions made of cations and dianions: [CsC₉]₇]⁻

1060. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
      J. Phys. Chem. A 102 (1999), 9405
      Theoretical evidence for delocalized inequivalent core holes

1061. N. Dobrodey, H. Köppel and L. S. Cederbaum
      Phys. Rev. A 60 (1999), 1988−1998
      Vibrational structure of the O1s ionization spectrum of CO₂

1062. F. K. Diakonos, D. Pingel and P. Schmelcher
      Physics Letters A 264 (1999), 162
      A Stochastic Approach to the Construction of One−Dimensional Chaotic Maps with Prescribed Statistical Properties

1063. M. S. Deleuze and L. S. Cederbaum
      Adv. Quant. Chem. 35 (1999), 77
      The new challenges of the theory of ionization for polymers and solids

1064. M. S. Deleuze, M. G. Giuffreda, J.−P. Francois and L. S. Cederbaum
      J. Chem. Phys. 111 (1999), 5851
      Valence one−electron and shake−up ionization bands of carbon clusters. I. The C_n (n = 3,5,7,9) chains

1065. L. S. Cederbaum and J. Zobeley
      Chem. Phys. Lett. 307 (1999), 205
      Ultrafast charge migration by electron correlation

1066. I. Burghardt, H.−D. Meyer and L. S. Cederbaum
      J. Chem. Phys. 111 (1999), 2927
      Approaches to the approximate treatment of complex molecular systems by the multiconfiguration time−dependent Hartree method

1067. J. Brand, L. S. Cederbaum and H.−D. Meyer
      Phys. Rev. A 60 (1999), 2983
      Dynamical Green's function and an exact optical potential for electron−molecule scattering including nuclear dynamics

1068. W. Becken, P. Schmelcher and F. K. Diakonos
      Journal of Physics B 32 (1999), 1557
      The Helium Atom in a Strong Magnetic Field

1069. I. Baldea, H. Köppel and L. S. Cederbaum
      Phys. Rev. B 60 (1999), 6646−6654
      Structural and magnetic transitions in ensembles of mesoscopic Peierls rings in a magnetic flux

1070. I. Baldea, H. Köppel and L. S. Cederbaum
      Synthetic Metals 101 (1999), 394
      Structural change in mesoscopic Peierls chains

1071. I. Baldea, H. Köppel and L. S. Cederbaum
      J. Phys. Soc. Japan 68 (1999), 1954−1962
      Quantum phonon fluctuations in mesoscopic dimerized systems

1072. V. Averbukh, N. Moiseyev, P. Schmelcher and L. S. Cederbaum
      Phys. Rev. A 59 (1999), 3695
      Transition from Rydberg to giant−dipole−moment states of hydrogen atoms in crossed fields: A suggestion for an experiment

1073. H. Köppel and W. Domke
      in: Encyclopedia of computational chemistry, ed. P.v.R Schleyer, Wiley, (1998)
      Vibronic dynamics in polyatomic molecules

1074. J. Zobeley, L. S. Cederbaum and F. Tarantelli
      J. Chem. Phys. 108 (1998), 9737
      Highly excited electronic states of molecular clusters and their decay

1075. G. A. Worth, H.−D. Meyer and L. S. Cederbaum
      J. Chem. Phys. 109 (1998), 3518
      Relaxation of a system with a conical intersection coupled to a bath: A benchmark 24−dimensional wave packet study treating the environment explicitly

1076. A. B. Trofimov, H. Köppel and J. Schirmer
      J. Chem. Phys. 109 (1998), 1025−1040
      Vibronic structure of the valence π−photoelectron bands in furan, pyrrole and thiophene.

1077. T. Sommerfeld, U. V. Riss, H.−D. Meyer, L. S. Cederbaum, B. Engels and H. U. Suter
      J. Phys. B 31 (1998), 4107
      Temporary anions − calculations of energy and life time by absorbing potentials: The N⁻₂ ²Π_g shape resonance

1078. T. Sommerfeld and L. S. Cederbaum
      Pys. Rev. Lett. 80 (1998), 3723
      Long−lived states of N₂⁻.

1079. J. Shertzer, J. Ackermann and P. Schmelcher
      Phys. Rev. A 58 (1998), 1129
      Positronium in Crossed Electric and Magnetic Fields: The Existence of a Long−Lived Ground State.

1080. R. Schork and H. Köppel
      Theoretical Chemistry Accounts 100 (1998), 204−211
      Ab initio quantum dynamical study of the vinylidene−acetylene isomerization.

1081. J. Schön and H. Köppel
      J. Chem. Phys. 108 (1998), 1503−1515
      Geometric phases and quantum dynamics in spin−orbit coupled systems.

1082. P. Schmelcher
      Int. J. Quant. Chem. 70 (1998), 789
      On the Ground States of Atoms and Molecules in Strong Magnetic Fields.

1083. P. Schmelcher and F. K. Diakonos
      Phys. Rev. E 57 (1998), 2739
      A general approach to the finding of Unstable Periodic Orbits in Chaotic Dynamical Systems.

1084. P. Schmelcher, J. Ackermann and J. Shertzer
      Nuclear Instruments and Methods − Section B 143 (1998), 202
      Stabilization of Matter−Antimatter Atoms in Crossed Electric and Magnetic Fields.

1085. J. Schirmer, A. B. Trofimov and G. Stelter
      J. Chem. Phys. 109 (1998), 4734
      A non−Dyson third−order approximation scheme for the electron propagator.

1086. U. V. Riss and H.−D. Meyer
      J. Phys. B 31 (1998), 2279−2304
      The transformative complex absorbing potential method: A bridge between complex absorbing potentials and smooth exterior scaling.

1087. D. Pingel, P. Schmelcher and F. K. Diakonos
      Phys. Rev. E 58 (1998), 369
      Analytical Solutions to One−Dimensional Dissipative and Discrete Chaotic Dynamics.

1088. E. Pahl, L. S. Cederbaum, H.−D. Meyer and F. Tarantelli
      Phys. Rev. Lett. 80 (1998), 1865
      Controlled interplay between decay and fragmentation in resonant Auger processes

1089. E. Pahl, H.−D. Meyer, L. S. Cederbaum and F. Tarantelli
      J. Electr. Spectr. Relat. Phen. 93 (1998), 17
      Theory of wave packet dynamics: resonant Auger spectrum of HF

1090. H.−D. Meyer, G. A. Worth and J.−Y. Fang
      J. Chem. Phys. 109 (1998), 349
      Comment on ``Generalization of the multiconfigurational time−dependent Hartree method to nonadiabatic systems'' [J. Chem. Phys. 105, 9191 (1996)]

1091. H.−D. Meyer
      in: The Encyclopedia of Computational Chemistry, ed. P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III and P. R. Schreiner, John Wiley and Sons, Chichester (1998)
      Multiconfiguration time−dependent Hartree method

1092. S. Mahapatra and H. Köppel
      Phys. Rev. Lett. 81 (1998), 3116−3119
      Quantum mechanical study of optical emission spectra of Rydberg−excited H₃ and its isotopomers

1093. S. Mahapatra and H. Köppel
      J. Chem. Phys. 109 (1998), 1721−1733
      Spectra and time−dependent dynamics of H₃ near the conical intersection in the (2p)1E' ground electronic manifold.

1094. D. M. Leitner and P. Schmelcher
      Rapid Communications Physical Review A 58 (1998), R3383
      Mesoscopic Motion of Atomic Ions in Magnetic Fields.

1095. S. Jordan, P. Schmelcher, W. Becken and W. Schweizer
      Astronomy and Astrophysics 336 (1998), L33−L36
      Evidence for Helium in the Magnetic White Dwarf GD229.

1096. A. Jäckle and H.−D. Meyer
      J. Chem. Phys. 109 (1998), 3772−3779
      Product representation of potential energy surfaces II.

1097. A. Jäckle and H.−D. Meyer
      J. Chem. Phys. 109 (1998), 2614−2623
      Calculation of H+H₂ and H+D₂ reaction probabilities within the multiconfiguration time−dependent Hartree approach employing an adiabatic correction scheme.

1098. M. V. Ivanov and P. Schmelcher
      Phy. Rev. A 57 (1998), 3793
      The Ground State of the Lithium Atom in Strong Magnetic Fields.

1099. A. Dreuw, T. Sommerfeld and L. S. Cederbaum
      Theor. Chem. Acc. 100 (1998), 60
      Possible long−lived quartet resonance states of CO⁻

1100. A. Dreuw, T. Sommerfeld and L. S. Cederbaum
      J. Chem. Phys. 109 (1998), 2727
      Mixed silicon−carbon dianions and their stability in the gas phase

1101. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
      J. Phys. Chem. A 102 (1998), 9405
      Theoretical evidence for delocalized inequivalent core holes

1102. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
      Phys. Rev. B 57 (1998), 7340
      Dynamical screening in weak chemisorption systems

1103. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
      Surface Science 402 (1998), 508
      Strong dynamical screening in weak chemisorption systems

1104. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
      Phys. Rev. B 58 (1998), 2316
      Partial localization of core holes in nonsymmetrical systems

1105. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
      Phys. Rev. B 57 (1998), 1998−7340
      Dynamical screening in weak chmisorption systems.

1106. F. K. Diakonos, P. Schmelcher and O. Biham
      Phy. Rev. Lett. 81 (1998), 4349
      Systematic Computation of the Least Unstable Periodic Orbits in Chaotic Attractors.

1107. T. Detmer, P. Schmelcher and L. S. Cederbaum
      J. Chem. Phys. 109 (1998), 9694
      Ab initio calculations with a nonspherical Gaussian basis set: Excited states of the hydrogen molecule

1108. T. Detmer, P. Schmelcher, F. K. Diakonos and L. S. Cederbaum
      in: Atoms and Molecules in Strong External Fields, ed. P. Schmelcher and W. Schweizer, Plenum Press, New York (1998)
      Hydrogen molecule in magnetic fields: On excited sigma states of the parallel configuration

1109. T. Detmer, P. Schmelcher and L. S. Cederbaum
      Phys. Rev. A 57 (1998), 1767
      The hydrogen molecule in a magnetic field: The lowest states of the pi manifold and the global ground state of the parallel configuration.

1110. M. S. Deleuze and L. S. Cederbaum
      in: Polymer−Solid Interfaces: from Models to Real Systems, ed. J. H. Pireaux, J. Delhalle and P. Rudolf, Presses Universitaires de Namur, Namur (1998)
      On the adequacy of the one−particle picture of ionization for polymers

1111. L. S. Cederbaum and P. Schmelcher
      in: Atoms and Molecules in Strong External Fields, ed. P. Schmelcher and W. Schweizer, Plenum Press, New York (1998)
      Neutral two−body systems of charged particles in external fields

1112. L. S. Cederbaum
      in: The Encyclopedia of Computational Chemistry, ed. P. v. R. Schleyer, N. L. Allinger, T. Clask, J. Gasteiger, P. A. Kollmann, H. F. Schaefer III and P. R. Schreiner, Wiley, Chichester (1998)
      Green's functions and propagators for chemistry

1113. J. Brand and L. S. Cederbaum
      Phys. Rev. A 57 (1998), 4311
      First order static excitation potential: Scheme for excitation energies and transition moments

1114. V. Berghof, T. Sommerfeld and L. S. Cederbaum
      J. Phys. Chem. A 102 (1998), 5100
      Sulfur cluster dianions

1115. M. H. Beck and H.−D. Meyer
      J. Chem. Phys. 109 (1998), 3730−3741
      Extracting accurate bound−state spectra from approximate wave packet propagation using the filter−diagonalization method.

1116. I. Baldea, H. Köppel and L. S. Cederbaum
      Solid State Communications 106 (1998), 733
      How small can a Peierls dimerized chain be?

1117. I. Baldea, H. Köppel and L. S. Cederbaum
      Solid State Commun. 108 (1998), 607
      Interplay between dia− and paramagnetism in ensembles of mesoscopic Peierls rings in a magnetic flux

1118. I. Baldea, H. Köppel and L. S. Cederbaum
      Eur. Phys. J. B 3 (1998), 507
      The smooth structural change in mesoscopic Peierls chains

1119. A. B. Trofimov and J. Schirmer
      Chem. Phys. 224 (1997), 175
      Polarization propagator study of electronic excitation in key heterocyclic molecules II. Furan.

1120. A. B. Trofimov and J. Schirmer
      Chem. Phys. 214 (1997), 153−170
      Polarization propagator study of electronic excitation in key heterocyclic molecules. I. Pyrrole.

1121. T. Sommerfeld, U. V. Riss, H.−D. Meyer and L. S. Cederbaum
      Phys. Rev. A 55 (1997), 1903
      Evidence for a metastable state of the fundamental dianion H²⁻

1122. T. Sommerfeld, U. V. Riss, H.−D. Meyer and L. S. Cederbaum
      Phys. Rev. Lett. 79 (1997), 1237
      Metastable C₂²⁻ dianion

1123. P. Schmelcher
      Int. J. Quant. Chem. 64 (1997), 553
      Exploring the Topology of the Potential Energy Surfaces of the H₂⁺−Ion in the Presence of a Strong Magnetic Field.

1124. P. Schmelcher and L. S. Cederbaum
      Int. J. Quantum Chem. 64 (1997), 501
      Molecules in strong magnetic fields: some perspectives and general aspects

1125. P. Schmelcher and F. K. Diakonos
      Phys. Rev. Lett. 78 (1997), 4733
      Detecting Unstable Periodic Orbits in Chaotic Dynamical Systems.

1126. P. Schmelcher and L. S. Cederbaum
      in: Atoms and Molecules in Intense Fields, ed. L. S. Cederbaum, K. C. Kulander and N. H. March, Springer, Berlin (1997)
      Two Interacting Charged Particles in Strong Magnetic Fields: A Variety of Two−Body Phenomena

1127. P. Schmelcher and F. K. Diakonos
      International Journal of Bifurcation and Chaos 7 (1997), 2459
      A Turning Point Analysis of the Ergodic Dynamics of Iterative Maps.

1128. D. Minelli, F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
      J. Chem. Phys. 107 (1997), 6070
      Ab initio simulation of molecular Auger spectra: Nuclear dynamics effects in the spectra of carbonyl sulfide

1129. F. Mertins, H.−D. Meyer and J. Schirmer
      J. Phys. B 30 (1997), 1691−1720
      Ground state correlation effects in molecular photoionization at the extended frozen−core Hartree−Fock level.

1130. A. Maderna, H. Pritzkow, W. Siebert, T. Sommerfeld and L. S. Cederbaum
      Z. Naturforsch. 52b (1997), 1315
      Donor−stabilized trisalkinylboranes. Crystal structure of H₅C₅N−B(CCH)₃ and electronic structure of B(CCH)₃.

1131. H. Köppel, F. X. Gadea, G. Klatt, J. Schirmer and L. S. Cederbaum
      J. Chem. Phys. 106 (1997), 4415
      Multistate vibronic coupling effects in the K−shell excitation spectrum of ethylene: Symmetry breaking and core−hole localization.

1132. H. Köppel
      Z. für Physikal. Chemie 200 (1997), 3−10
      Examples of Jahn−Teller coupling effects in molecular spectroscopy and internal conversion dynamics.

1133. B. Kempgens, B. S. Itchkawitz, J. Feldhaus, A. M. Bradshaw, H. Köppel, M. Döscher, F. X. Gadea and L. S. Cederbaum
      Chem. Phys. Lett. 277 (1997), 436
      Vibronic coupling in the K−shell excitation of ethyne

1134. B. Kempgens, H. Köppel, A. Kivimäki, M. Neeb, L. S. Cederbaum and A. M. Bradshaw
      Phys. Rev. Lett. 79 (1997), 3617
      Core level energy splitting in the C1s photoelectron spectrum of C₂H₂.

1135. F. X. Gadea, S. Mathieu and L. S. Cederbaum
      J. Mol. Struct. (Theochem) 401 (1997), 15
      A new perspective in X−ray induced organic chemistry: the acetylene example

1136. A. Dreuw, T. Sommerfeld and L. S. Cederbaum
      Angew. Chem. Int. Ed. Engl. 36 (1997), 1889
      Stable free dianionic silicon−carbon clusters

1137. M. Döscher and H. Köppel
      Chem. Phys. 225 (1997), 93−105
      Multiple surface intersections and strong nonadiabatic coupling effects between the D²E_1u and E²B_2u states of C₆H₆⁺.

1138. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
      Surface Science 379 (1997), 623
      On core−hole screening in chemisorption systems

1139. F. K. Diakonos and P. Schmelcher
      CHAOS 7 (1997), 239
      Turning Point Properties as a Method for the Characterization of the Ergodic Dynamics of One Dimensional Iterative Maps.

1140. T. Detmer, P. Schmelcher, F. K. Diakonos and L. S. Cederbaum
      Phys. Rev. A 56 (1997), 1825
      Hydrogen molecule in magnetic fields: The ground states of the Σ manifold of the parallel configuration.

1141. M. Deleuze and L. S. Cederbaum
      Int. J. Quantum Chem. 63 (1997), 465
      Correlation effects in the valence x−ray photoionization spectra of ethylene, butadiene and hexatriene

1142. L. S. Cederbaum, J. Zobeley and F. Tarantelli
      Phys. Rev. Lett. 79 (1997), 4778
      Giant intermolecular decay and fragmentation of clusters

1143. M. H. Beck and H.−D. Meyer
      Z. Phys. D 42 (1997), 113−129
      An efficient and robust integration scheme for the equations of motion of the multiconfiguration time−dependent Hartree (MCTDH) method.

1144. I. Baldea, H. Köppel and L. S. Cederbaum
      Synthetic Metals 86 (1997), 2221
      Electron−phonon coupling in a one−band MX−chain model. A numerical study.

1145. I. Baldea, H. Köppel and L. S. Cederbaum
      Phys. Rev. B 55 (1997), 1481
      Finite−size effects and quantum phonon fluctuations in the optical absorption edge of dimerized chains

1146. J. Ackermann, J. Shertzer and P. Schmelcher
      Phys. Rev. Lett. 78 (1997), 199
      Long−lived states of Positronium in crossed magnetic and electric fields.

1147. G. A. Worth, H.−D. Meyer and L. S. Cederbaum
      J. Chem. Phys. 105 (1996), 4412
      The effect of a model environment on the S₂ absorption spectrum of pyrazine: a wave packet study treating all 24 vibrational modes

1148. H. −G. Weikert, H.−D. Meyer, L. S. Cederbaum and F. Tarantelli
      J. Chem. Phys. 104 (1996), 7122
      Block Lanczos and many−body theory: Application to the one−particle Green's function

1149. F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
      Can. J. Phys. 74 (1996), 789
      Green's function calculations for doubly ionized molecular states and simulation of Auger spectra

1150. T. Sommerfeld, U. V. Riss, H.−D. Meyer and L. S. Cederbaum
      Phys. Rev. Lett. 77 (1996), 470
      Evidence for a resonance state of H²⁻

1151. T. Sommerfeld, M. K. Scheller and L. S. Cederbaum
      J. Chem. Phys. 104 (1996), 1464
      A new class of free stable doubly negative systems: Three Si₂O₅²⁻ isomers and their interconversion

1152. H. D. Schulte, L. S. Cederbaum and F. Tarantelli
      J. Chem. Phys. 105 (1996), 11108
      Core−valence doubly ionized states: General aspects, examples, production mechanisms

1153. J. Schirmer and F. Mertins
      J. Phys. B 29 (1996), 3559−3580
      A new approach to the random phase approximation.

1154. J. Schirmer and F. Mertins
      Int. J. Quant. Chem. 58 (1996), 329−339
      Size Consistency of an algebraic propagator approach.

1155. U. V. Riss and H.−D. Meyer
      J. Chem. Phys. 105 (1996), 1409−1419
      Investigation on the reflection and transmission properties of complex absorbing potentials.

1156. E. Pahl, H.−D. Meyer, L. S. Cederbaum, D. Minelli and F. Tarantelli
      J. Chem. Phys. 105 (1996), 9175
      Adiabatic and nonadiabatic effects of nuclear dynamics in spectra of decaying states: Auger spectrum of HF

1157. E. Pahl, H.−D. Meyer and L. S. Cederbaum
      Z. Phys. D 38 (1996), 215
      Competition between excitation and electronic decay of short−lived molecular states

1158. F. Mertins, J. Schirmer and A. Tarantelli
      Phys. Rev. A 53 (1996), 2153−2168
      Algebraic propagator approaches and intermediate−state representations. II. The equation−of−motion methods for N, N±1, N±2 electrons.

1159. F. Mertins and J. Schirmer
      Phys. Rev. A 53 (1996), 2140−2152
      Algebraic propagator approaches and intermediate−state representations. I. The biorthogonal and unitary coupled−cluster methods.

1160. M. Mayer, L. S. Cederbaum and H. Köppel
      J. Chem. Phys. 104 (1996), 8932
      Rovibronic coupling in the Na₃B system

1161. M. Mayer and L. S. Cederbaum
      J. Chem. Phys. 105 (1996), 4938
      Molecular rotations in vibronically coupled systems

1162. D. M. Leitner, H. Köppel and L. S. Cederbaum
      J. Chem. Phys. 104 (1996), 434
      Statistical properties of molecular spectra and molecular dynamics: Analysis of their correspondence in NO₂ and C₂H₄⁺

1163. U. Kappes and P. Schmelcher
      Phys. Lett. A 210 (1996), 409
      On the topology of adiabatic electronic potential energy surfaces in a strong magnetic field.

1164. U. Kappes and P. Schmelcher
      Phys. Rev. A 53 (1996), 3869
      Adiabatic Potential Energy Surfaces of the H₂⁺−Ion in a Strong Magnetic Field.

1165. U. Kappes and P. Schmelcher
      Phys. Rev. A 54 (1996), 1313
      Adiabatic potential energy surfaces for higher excited states of the H₂⁺−ion in a strong magnetic field.

1166. A. Jäckle and H.−D. Meyer
      J. Chem. Phys. 104 (1996), 7974−7984
      Product representation of potential energy surfaces.

1167. A. Jäckle and H.−D. Meyer
      J. Chem. Phys. 105 (1996), 6778−6786
      Time−dependent calculation of reactive flux employing complex absorbing potentials: General aspects and application within the multi−configuration time−dependent Hartree approach.

1168. J. Horacek, F. Gemperle and H.−D. Meyer
      J. Chem. Phys. 104 (1996), 8433
      Calculation of dissociative attachment of electrons to diatomic molecules by the Schwinger−Lanczos approach.

1169. G. Handke, F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
      J. Chem. Phys. 104 (1996), 9531
      Theoretical investigations of molecular triple ionization spectra

1170. G. Handke, F. Tarantelli and L. S. Cederbaum
      Phys. Rev. Lett. 76 (1996), 896
      Triple ionization of carbon monoxide

1171. G. Handke, F. Tarantelli and L. S. Cederbaum
      Chem. Phys. Lett. 251 (1996), 26
      On the calculation of Shake−off satellite contributions to molecular Auger spectra

1172. F. O. Gottfried, L. S. Cederbaum and F. Tarantelli
      J. Chem. Phys. 104 (1996), 9754
      The Auger spectra of CF₄ in the light of foreign imaging

1173. F. O. Gottfried, L. S. Cederbaum and F. Tarantelli
      Phys. Rev. A 53 (1996), 2118
      Ab initio Block Lanczos calculation of the Auger spectra of SiF₄: Strong two−hole localization effects and foreign imaging

1174. M. Ehara, H.−D. Meyer and L. S. Cederbaum
      J. Chem. Phys. 105 (1996), 8865
      Multiconfiguration time−dependent Hartree (MCTDH) study on rotational and diffractive inelastic molecule−surface scattering

1175. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
      Phys. Rev. B 54 (1996), 10405
      Core hole screening in chemisorption systems: Role of metal−adsorbate π −> π^* charge transfer

1176. F. K. Diakonos and P. Schmelcher
      Phys. Lett. A 211 (1996), 199
      On the construction of one dimensional iterative maps from the invariant density: The dynamical route to the beta distribution.

1177. M. S. Deleuze and L. S. Cederbaum
      J. Chem. Phys. 105 (1996), 7583
      Evidence for a partial breakdown of the molecular orbital picture in the ionization spectra of large saturated hydrocarbons

1178. M. S. Deleuze and L. S. Cederbaum
      Phys. Rev. B 53 (1996), 13326
      Formation of satellite bands in the ionization spectra of extended systems

1179. L. S. Cederbaum
      Few−Body Systems 21 (1996), 211
      Optical potentials for elastic and inelastic scattering of non−electronic projectiles from electronic targets

1180. J. Brand and L. S. Cederbaum
      Ann. of Phys. (N.Y.) 252 (1996), 276
      Extended two−particle Green's functions and optical potentials for two−particle scattering by many−body targets

1181. W. Becken and P. Schmelcher
      Phys. Rev. A 54 (1996), 4868
      Highly excited charged two−body systems in a magnetic field: A perturbation theoretical approach to the classical dynamics.

1182. H. −G. Weikert and L. S. Cederbaum
      Chem. Phys. Lett. 237 (1995), 1
      On the satellite structure accompanying the ionization of benzene

1183. A. B. Trofimov and J. Schirmer
      J. Phys. B 28 (1995), 2299−2324
      An efficient polarization propagator approach to valence electron excitation spectra.

1184. F. Tarantelli, L. S. Cederbaum and A. Sgamellotti
      J. Electr. Spectry. 76 (1995), 47
      The ab initio simulation of Auger spectra

1185. T. Sommerfeld, M. K. Scheller and L. S. Cederbaum
      J. Chem. Phys. 103 (1995), 1057
      A new class of free stable doubly negative systems: First investigations on the Si_mO_n²⁻ series.

1186. H. D. Schulte and L. S. Cederbaum
      J. Chem. Phys. 103 (1995), 698
      Potential energy surfaces and dynamics in core−ionized and core−excited states

1187. J. Schön and H. Köppel
      J. Chem. Phys. 103 (1995), 9292−9301
      Geometric phase effects and wave packet dynamics on intersecting potential energy surfaces.

1188. P. Schmelcher and L. S. Cederbaum
      Phys. Rev. Lett. 74 (1995), 662
      Classical self−ionization of fast atomic ions in magnetic fields

1189. P. Schmelcher
      Phys. Rev. A 52 (1995), 130
      On the Interaction of the Collective and Electronic Motion of Atomic Ions in Magnetic Fields.

1190. M. K. Scheller, R. N. Compton and L. S. Cederbaum
      Science 270 (1995), 1160
      Gas−phase multiply charged anions

1191. U. V. Riss and H.−D. Meyer
      J. Phys. B 28 (1995), 1475
      Reflection−free Complex Absorbing Potentials.

1192. S. Pal, K. G. Ghose and H.−D. Meyer
      Int. J. Quant. Chem. 55 (1995), 291−297
      Electron correlation effects in target molecule in low−energy e⁻+N₂ scattering.

1193. P. Müller, S. Huck, H. Köppel, H. Pritzkow and W. Siebert
      Z. Naturforsch. 50 (1995), 1476−1484
      Synthese und Strukturen von 9,10−Dihydro−9,10−diboraanthracen−Derivaten.

1194. D. Minelli, F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
      J. Electr. Spectry. 74 (1995), 1
      Advances in the theoretical simulation of Auger spectra of polyatomic molecules: an example

1195. M. Yu. Lavrentiev, H. Köppel and L. S. Cederbaum
      Phys. Rev. B 51 (1995), 5790
      Phonons in one−dimensional Peierls systems with internal degrees of freedom

1196. H. Kutz and H.−D. Meyer
      Phys. Rev. A 51 (1995), 3819−3830
      Rotational Excitation of N₂ and Cl₂ Molecules by Electron Impact in the Energy Range 0.001−1000 eV: Investigation of Excitation Mechanisms.

1197. B. Kempgens, B. S. Itchkawitz, K. J. Randall, J. Feldhaus, A. M. Bradshaw, H. Köppel, F. X. Gadea, D. Nordfors, J. Schirmer and L. S. Cederbaum
      Chem. Phys. Lett. 246 (1995), 347
      Dynamic effects in the C1s excitation spectra of ethene isotopomers

1198. U. Kappes and P. Schmelcher
      Phys. Rev. A 51 (1995), 4542
      On the Electronic Bond Structure of the Hydrogen Molecular Ion in a Strong Magnetic Field: An Extensive Study of the Parallel Configuration.

1199. A. Jäckle and H.−D. Meyer
      J. Chem. Phys. 102 (1995), 5605−5615
      Reactive scattering using the multiconfiguration time−dependent Hartree approximation: General aspects and application to the collinear H+H₂ → H₂+H reaction.

1200. G. Handke, F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
      J. Electr. Spectry. 76 (1995), 307
      Calculating triply ionized states of molecules by Green's functions: Carbon monoxide

1201. G. Handke, F. Tarantelli, A. Tarantelli and L. S. Cederbaum
      J. Electr. Spectry. 75 (1995), 109
      The ab−initio calculation of very many triply ionized states of molecular systems

1202. R. F. Gunion, H. Köppel, G. W. Leach and W. C. Lineberger
      J. Chem. Phys. 103 (1995), 1250−1262
      Photoelectron spectroscopy of C₄H₄⁻; ab initio calculations and dynamics of the 1,2−Hydrogen shift in vinylvinylidene.

1203. T. Detmer, P. Schmelcher and L. S. Cederbaum
      J. Phys. B 28 (1995), 2903
      Rotation−vibration Hamiltonian for neutral diatomic molecules in magnetic fields: dynamical screening of nuclei

1204. M. Deleuze, M. K. Scheller and L. S. Cederbaum
      J. Chem. Phys. 103 (1995), 3578
      On the size−dependence of the static self−energy in propagator calculations

1205. L. S. Cederbaum
      J. Chem. Phys. 103 (1995), 562
      Symmetry breaking and localization in resonant photon emission

1206. L. S. Cederbaum and F. Tarantelli
      in: Frontiers of Chemical Dynamics, ed. E. Yurtsever, Kluwer, Dordrecht (1995)
      Time−dependent nuclear dynamics of decaying states

1207. I. Baldea, H. Köppel and L. S. Cederbaum
      Solid State Communications 93 (1995), 817
      Analytical results in CDW systems beyond the strong pinning limit

1208. I. Baldea, L. S. Cederbaum and H. Köppel
      J. Phys. Soc. Jpn. 64 (1995), 356
      Analytical explanation for numerical simulation results on CDW

1209. I. Baldea, H. Köppel and L. S. Cederbaum
      Phys. Rev. B 52 (1995), 11845
      Coexistence of short− and large−scale phase variations in a charge−density wave weakly coupled to impurities

1210. F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
      Phys. Rev. Lett. 72 (1994), 428
      Aggregation state effects in Auger spectroscopy: The fluorine KLL spectrum of KF

1211. A. Tarantelli and L. S. Cederbaum
      Phys. Rev. A 49 (1994), 3407
      Consistency of approximation schemes in many−body theory

1212. F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
      J. Electr. Spectry. 68 (1994), 297
      The calculation of molecular Auger spectra

1213. T. Sommerfeld, M. K. Scheller and L. S. Cederbaum
      J. Phys. Chem. 98 (1994), 8914
      Small dicationic carbon clusters: General aspects on their stability and results of C₉²⁻.

1214. R. Skodje, R. Sadeghi, H. Köppel and J. Krause
      J. Chem. Phys. 101 (1994), 1725−1729
      Spectral quantization of transition state dynamics for the three−dimensional H+H₂ reaction.

1215. J. Schön and H. Köppel
      Chem. Phys. Lett. 231 (1994), 55−63
      Femtosecond time−resolved ionization spectroscopy of Na₃(B) and the question of the geometric phase.

1216. P. Schmelcher and D. L. Shepelyansky
      Phys. Rev. B 49 (1994), 7418
      Chaotic and Ballistic Dynamics for Two−Dimensional Electrons in Periodic Magnetic Fields.

1217. P. Schmelcher, L. S. Cederbaum and U. Kappes
      in: Conceptual trends in quantum chemistry, ed. E. S. Kryachko and J. L. Calais, Kluwer Acad. Publ., Netherlands (1994)
      Molecules in magnetic fields: fundamental aspects

1218. M. K. Scheller and L. S. Cederbaum
      J. Chem. Phys. 100 (1994), 8943
      Construction principle for stable multiply−negative charged molecular systems. Part II. Triply−negative charged systems

1219. M. K. Scheller and L. S. Cederbaum
      J. Chem. Phys. 100 (1994), 8934
      Construction principle for stable multiply−negative charged molecular systems. Part I. Doubly−negative charged systems

1220. M. K. Scheller and L. S. Cederbaum
      J. Chem. Phys. 101 (1994), 3962
      Stable multiply negative ionic chains: How many excess electrons can a finite quasilinear molecule hold

1221. H. Müller and H. Köppel
      Chem. Phys. 183 (1994), 107−116
      Adiabatic wave−packet motion on conically intersecting potential energy surfaces: the case of SO₂(¹B₁−¹A₂).

1222. H. Müller, H. Köppel and L. S. Cederbaum
      J. Chem. Phys. 101 (1994), 10263
      Three dimensional nuclear dynamics on conically intersecting potential energy surfaces of O₃⁺ (²A₁−²B₂ )

1223. H.−D. Meyer
      Chem. Phys. Lett. 223 (1994), 465−468
      On the equivalence of the log−derivative Kohn principle with the R−matrix method.

1224. M. Mayer, L. S. Cederbaum and H. Köppel
      J. Chem. Phys. 100 (1994), 899
      Ground state dynamics of NO₃: multimode vibronic borrowing including thermal effects

1225. D. M. Leitner, H. Köppel and L. S. Cederbaum
      Phys. Rev. Lett. 73 (1994), 2970
      Effects of symmetry breaking on spectra of chaotic Hamiltonian systems

1226. D. Leitner and L. S. Cederbaum
      Phys. Rev. E 49 (1994), 114
      Some properties of invariant random−matrix ensembles and their connection to ergodic and nonergodic Hamiltonian systems

1227. H. Köppel and R. Meiswinkel
      Z. Phys. D 32 (1994), 153−156
      Point−charge model for vibronic coupling constants of metal atom trimers.

1228. U. Kappes, P. Schmelcher and T. Pacher
      Phys. Rev. A 50 (1994), 3775
      Influence of a Strong Magnetic Field on the Chemical Bond of the Excited Hydrogen Molecular Ion.

1229. U. Kappes and P. Schmelcher
      J. Chem. Phys. 100 (1994), 2878
      Atomic Orbital Basis Set Optimization for Ab Initio Calculations of Molecules with Hydrogen Atoms in Strong Magnetic Fields.

1230. A. D. Hammerich, U. Manthe, R. Kosloff, H.−D. Meyer and L. S. Cederbaum
      J. Chem. Phys. 101 (1994), 5623
      Time−dependent photodissociation of methyl iodide with five active modes

1231. S.−L. Drechsler, J. Malek, M. Lavrentiev and H. Köppel
      Phys. Rev. B 49 (1994), 233−243
      Optical phonons of alternating chains with 3/4−filled bands and internal degrees of freedom: A simple model for Ca₂CuO₃.

1232. O. Dippel, P. Schmelcher and L. S. Cederbaum
      Phys. Rev. A 49 (1994), 4415
      Charged anisotropic harmonic oscillator and the hydrogen atom in crossed fields

1233. L. S. Cederbaum and P. Winkler
      Theoret. Chim. Acta 88 (1994), 257
      Dilatation transformation and sum rules for general potentials including self−consistent potentials

1234. K. Zähringer, H.−D. Meyer, L. S. Cederbaum, F. Tarantelli and A. Sgamellotti
      Chem. Phys. Lett. 206 (1993), 247
      All ab initio Auger spectra of HF and LiF: energies, intensities and vibrational shifts and broadenings

1235. H.−G. Weikert and L. S. Cederbaum
      J. Chem. Phys. 99 (1993), 8877
      Free doubly negative tetrahalides

1236. F. Tarantelli and L. S. Cederbaum
      Phys. Rev. Lett. 71 (1993), 649
      Foreign imaging in Auger spectroscopy: The Si 2p spectrum of silicon tetrafluoride

1237. T. Sommerfeld, M. K. Scheller and L. S. Cederbaum
      Chem. Phys. Lett. 209 (1993), 216
      The structure of small doubly negative carbon clusters

1238. P. Schmelcher and L. S. Cederbaum
      Chem. Phys. Lett. 208 (1993), 548
      Two−body effects of the hydrogen atom in crossed electric and magnetic fields

1239. P. Schmelcher and L. S. Cederbaum
      Phys. Rev. A 47 (1993), 2634
      Intermittent chaos in Hamiltonian systems: The three−dimensional hydrogen atom in magnetic fields

1240. P. Schmelcher
      Phys. Rev. B 48 (1993), 14462
      Delocalization of Excitons in a Magnetic Field.

1241. J. Schirmer, A. B. Trofimov, K. J. Randall, J. Feldhaus, A. M. Bradshaw, Y. Ma, C. T. Chen and F. Sette
      Phys. Rev. A 47 (1993), 1136−1147
      K−shell excitation of the water, ammonia, and methane molecules using high−resolution photoabsorption spectroscopy.

1242. M. Scheller and L. S. Cederbaum
      J. Chem. Phys. 99 (1993), 441
      Stability of MX₃²⁻ ions in the gas phase and when do ionic molecules have large ionization potentials.

1243. M. K. Scheller and L. S. Cederbaum
      Chem. Phys. Lett. 216 (1993), 141
      A construction principle for stable multiply charged molecular anions in the gas phase

1244. U. V. Riss and H.−D. Meyer
      J. Phys. B 26 (1993), 4503−4536
      Calculation of resonance energies and widths using the complex absorbing potential method.

1245. T. Pacher, L. S. Cederbaum and H. Köppel
      Adv. Chem. Phys. 84 (1993), 293
      Adiabatic and quasidiabatic states in a gauge theoretical framework

1246. H. Müller, H. Köppel and L. S. Cederbaum
      New J. Chem. 17 (1993), 7
      Topology and dynamics of vibronically coupled potential energy surfaces: General aspects and application to the ozone cation

1247. D. Minelli, F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
      J. Chem. Phys. 99 (1993), 6688
      Theoretical simulation of molecular Auger spectra: The carbon and oxygen KLL Auger spectra of formaldehyde

1248. H.−D. Meyer, U. Manthe and L. S. Cederbaum
      Numerical grid methods and their applications to Schrödingers equation 412 (1993), 141
      The multi−configuration Hartree approach

1249. R. Meiswinkel and H. Köppel
      Chem. Phys. Lett. 201 (1993), 449−457
      Combined Jahn−Teller and Pseudo−Jahn−Teller effects in the P₄⁺ cation.

1250. D. M. Leitner and L. S. Cederbaum
      J. Mol. Struct. 292 (1993), 197
      Invariant random matrix ensembles as models for ergodic and nonergodic Hamiltonian systems

1251. M. Lavrentiev, H. Köppel and M. C. Boehm
      Chem. Phys. 169 (1993), 85−102
      Theoretical study of the multimode Peierls distortion in the polydecker sandwich compound [Ni(C₃B₂H₅)]_∈fty.

1252. M. Yu. Lavrentiev, H. Köppel and L. S. Cederbaum
      Z. Phys. B 91 (1993), 481
      Peierls instabilities in one−dimensional systems with Jahn−Teller−active monomers

1253. M. Lavrentiev, H. Köppel and M. C. Boehm
      Synth. Metals 55-57 (1993), 4644−4649
      Electronic structure and multimode Peierls distortions in the one−dimensional polydecker Ni(H₅C₃B₂)_∈fty.

1254. H. Köppel
      Chem. Phys. Lett. 205 (1993), 361−370
      New ultrafast nonradiative decay mechanism in the benzene radical cation.

1255. A. V. Kondratenko and L. S. Cederbaum
      J. Phys. C: Condensed Matter 5 (1993), 8869
      Resonant−electron−transfer model for the electronic structure of high−T_c superconductors

1256. K. B. Ghose, S. Pal and H.−D. Meyer
      J. Chem. Phys. 99 (1993), 945−949
      Correlated static−exchange interaction calculation for e⁻ + N₂ scattering using the coupled cluster technique

1257. S. −L. Drechsler, J. Malek, H. Eschrig, H. Köppel and L. S. Cederbaum
      Synthetic Metals 57 (1993), 4272
      Nonlinear defect states in AB−chains with internal degrees of freedom

1258. L. S. Cederbaum and F. Tarantelli
      J. Chem. Phys. 98 (1993), 9691
      Nuclear dynamics of decaying states: a time−dependent formulation

1259. L. S. Cederbaum and F. Tarantelli
      J. Chem. Phys. 99 (1993), 5871
      Nuclear dynamics of several decaying overlapping electronic states: A time−dependent formulation

1260. N. G. Antoniou, F. K. Diakonos, C. G. Papadopoulos and P. Schmelcher
      Phys. Rev. E 48 (1993), 3399
      Hadronic Intermittency and Chaotic Motion in Rapidity Space.

1261. K. Zähringer, H.−D. Meyer and L. S. Cederbaum
      Phys. Rev. A 46 (1992), 5643
      Angular−resolved Auger rates of LiF and HF

1262. K. Zähringer, H.−D. Meyer and L. S. Cederbaum
      Phys. Rev. A 45 (1992), 318
      Molecular scattering wavefunctions for Auger decay rates: The Auger spectrum of hydrogen fluoride

1263. A. Tarantelli and L. S. Cederbaum
      Phys. Rev. A 46 (1992), 81
      Approximation scheme for the three−particle propagator

1264. F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
      in: Applied Many−Body Methods in Spectroscopy and Electronic Structure, ed. D. Mukherjee, Plenum Press, New York (1992)
      Recent developments in the calculation of molecular Auger spectra

1265. A. Tarantelli and L. S. Cederbaum
      Phys. Rev. A 45 (1992), 2790
      Configuration−interaction formulation of the Dyson equation

1266. P. Schmelcher and L. S. Cederbaum
      Z. Phys. D 24 (1992), 311
      Regularity and chaos in the center of mass motion of the hydrogen atom in a magnetic field

1267. P. Schmelcher and L. S. Cederbaum
      Phys. Lett. A 164 (1992), 305
      On chaos in unbounded phase space

1268. P. Schmelcher
      J. Phys. B 25 (1992), 2697
      Regularity and Irregularity in the Center of Mass Motion of the Positronium Atom in a Magnetic Field.

1269. A. Schmitt and J. Schirmer
      Chem. Phys. 164 (1992), 1
      Molecular K−shell excitation spectra in the relaxed−core Hartree−Fock approximation.

1270. M. K. Scheller and L. S. Cederbaum
      J. Phys. B: At. Mol. Opt. Phys. 25 (1992), 2257
      Existence of doubly−negative charged ions and relation to solids

1271. H. Müller, H. Köppel, L. S. Cederbaum, T. Schmelz, G. Chambaud and P. Rosmus
      Chem. Phys. Lett. 197 (1992), 599
      Vibronic coupling effects in the ozone cation

1272. H.−D. Meyer
      J. Phys. B 25 (1992), 2657−2668
      The CI optical potential and its equivalence with the Schwinger multichannel formalism

1273. H.−D. Meyer, S. Pal and U. V. Riss
      Phys. Rev. A 46 (1992), 186−193
      Inclusion of electron correlation for the target wavefunction in low−energy e⁻ + N₂ scattering.

1274. U. Manthe, H.−D. Meyer and L. S. Cederbaum
      J. Chem. Phys. 97 (1992), 9062
      Multiconfigurational time−dependent Hartree study of complex dynamics: Photodissociation of NO₂

1275. U. Manthe, H.−D. Meyer and L. S. Cederbaum
      J. Chem. Phys. 97 (1992), 3199
      Wave−Packet Dynamics within the Multiconfiguration Hartree Framework: General Aspects and Application to NOCl

1276. L. S. Cederbaum and H. Köppel
      J. Phys. A 25 (1992), L311
      The distorted Jahn−Teller effect.

1277. L. S. Cederbaum
      Few−Body Systems, Suppl. 6 (1992), 595
      Green's functions for molecules

1278. H. −G. Weikert, L. S. Cederbaum, F. Tarantelli and A. I. Boldyrev
      Z. Phys. D 18 (1991), 299
      On the existence of free doubly negative molecular ions

1279. F. Taratelli, A. Sgamellotti and L. S. Cederbaum
      J. Chem. Phys. 94 (1991), 523
      Many dicationic states and two−hole population analysis as a bridge to Auger spectra: Strong localization phenomena in BF₃

1280. P. Schmelcher and L. S. Cederbaum
      Int. J. Quant. Chem. S 25 (1991), 371
      On molecules and ions in strong magnetic fields

1281. P. Schmelcher and L. S. Cederbaum
      Phys. Rev. A 43 (1991), 287
      Interaction of the Landau orbitals of atomic ions in a magnetic field with electronic motion

1282. T. Schmelz, G. Chambaud, P. Rosmos, H. Köppel, L. S. Cederbaum and H.−J. Werner
      Chem. Phys. Lett. 183 (1991), 209
      Electronic states of the O₃⁺ radical cation

1283. J. Schirmer, M. Braunstein and V. McKoy
      Phys. Rev. A. 44 (1991), 5762
      Satellite Intensities in the K−shell photoionization of CO.

1284. J. Schirmer
      Phys. Rev. A 43 (1991), 4647−4659
      Closed−form intermediate representations of many−body propagators and resolvent matrices.

1285. T. Pacher, H. Köppel and L. S. Cederbaum
      J. Chem. Phys. 95 (1991), 6668
      Quasidiabatic states from ab initio calculations by block diagonalization of the electronic Hamiltonian: Use of frozen orbitals

1286. E. M.−L. Ohrendorf, L. S. Cederbaum and F. Tarantelli
      Phys. Rev. A 44 (1991), 205
      Double vacancies in the cores of silane and tetrafluorosilane

1287. E. M.−L. Ohrendorf, F. Tarantelli and L. S. Cederbaum
      Chem. Phys. Lett. 183 (1991), 1
      Orbital coupling in double−vacancy and two−electron systems

1288. H.−D. Meyer, Horacek J. and L. S. Cederbaum
      Phys. Rev. A 43 (1991), 3587−3596
      Schwinger and anomaly−free Kohn variational principles and a generalized Lanczos algorithm for non−symmetric operators.

1289. R. Meiswinkel and H. Köppel
      Z. Phys. D 19 (1991), 63−66
      A pseudo−Jahn−Teller treatment of the B system of Na₃.

1290. U. Manthe and H. Köppel
      Chem. Phys. Lett. 178 (1991), 36−42
      Three−dimensional wave packet dynamics on vibronically coupled dissociative potential energy surfaces.

1291. U. Manthe, H. Köppel and L. S. Cederbaum
      J. Chem. Phys. 95 (1991), 1708
      Dissociation and predissociation on coupled electronic potential energy surfaces: A three−dimensional wave packet dynamical study

1292. C. LeForestier, R. Bisseling, C. Cerjan, M. D. Feit, A. Guldenberg, A. Hammerich, G. Jolicard, W. Karrlein, H.−D. Meyer, N. Lipkin, O. Roncero and R. Kosloff
      J. Comp. Phys. 94 (1991), 59−80
      A comparison of different propagation schemes for the time−dependent Schrödinger equation

1293. S. V. K. Kumar, G. Ziegler, H. J. Korsch, K. Bergmann and H.−D. Meyer
      Phys. Rev. A 44 (1991), 268−273
      Inelastic transitions in vibrationally excited Na induced by intermediate energy electron impact.

1294. J. Kucar and H.−D. Meyer
      Z. Phys.D 18 (1991), 325−237
      The time−dependent rotated Hartree approach: A re−formulation for the harmonic Lie algebra

1295. A. V. Kondratenko and L. S. Cederbaum
      Phys. Rev. B 43 (1991), 10595
      Small ab initio Cu(II) oxide cluster model with localized states and strong screening effects accompanying ionization

1296. G. Hähner, M. Kinzler, Ch. Wöll, M. Grunze, M. K. Scheller and L. S. Cederbaum
      Phys. Rev. Lett. 67 (1991), 851
      Near Edge X−ray absorption fine−structure determination of alkyl−chain orientation: Breakdown of the 'Building−Block' scheme

1297. F. X. Gadea, H. Köppel, J. Schirmer, L. S. Cederbaum, K. J. Randall, A. M. Bradshaw, Y. Ma, F. Sette and C. T. Chen
      Phys. Rev. Lett. 66 (1991), 883
      Vibronic coupling and core−hole localization in K−shell excitations of ethylene

1298. F. Fischer, H. Köppel and L. S. Cederbaum
      Synthetic Metals 41 (1991), 3597
      Multimode Peierls distortions

1299. L. S. Cederbaum, P. Campos, F. Tarantelli and A. Sgamellotti
      J. Chem. Phys. 95 (1991), 6634
      Band shape and vibrational structure in Auger spectra: Theory and application to carbon monoxide

1300. L. S. Cederbaum and H.−D. Meyer
      Chem. Phys. Lett. 181 (1991), 163
      On natural orbitals for properties

1301. G. Ziegler, S. V. K. Kumar, M. Rädle, K. Jung, H. Ehrhardt, K. Bergmann and H.−D. Meyer
      Z. Phys.D 16 (1990), 207−217
      Rotational excitation by electron impact: A state selective study using laser−induced fluorescence

1302. P. Tomasello, W. Wardermann, W. von Niessen and L. S. Cederbaum
      J. Am. Chem. Soc. 112 (1990), 94
      Valence ionization spectra of disubstituted s−Tetrazines: Strong correlation effects induced by substitution

1303. A. Tarantelli and L. S. Cederbaum
      J. Math. Phys. 31 (1990), 828
      Block−diagonalization in second quantization

1304. R. Schneider, W. Domcke and H. Köppel
      J. Chem. Phys. 92 (1990), 1045−1061
      Aspects of dissipative electronic and vibrational dynamics of strongly vibronically coupled systems.

1305. P. Schmelcher and L. S. Cederbaum
      Phys. Rev. A 41 (1990), 4936
      Crossings of potential−energy surfaces in a magnetic field

1306. J. Schirmer, M. Braunstein and V. McKoy
      Phys. Rev. A 41 (1990), 283−300
      Molecular K−shell photoionization cross sections in the relaxed−core Hartee−Fock approximation.

1307. M. K. Scheller, L. S. Cederbaum and F. Tarantelli
      J. Am. Chem. Soc. 112 (1990), 9484
      On the bonding between C₂ and N₂: a localization induced σ bond

1308. M. K. Scheller, H.−G. Weikert, L. S. Cederbaum and F. Tarantelli
      J. Electr. Spectrosc. 51 (1990), 75
      Correlation phenomena in the ionization of CN dimers

1309. E. M.−L. Ohrendorf, F. Tarantelli and L. S. Cederbaum
      J. Chem. Phys. 92 (1990), 2984
      Dicationic states of hydrocarbons and a statistical approach to their Auger spectra

1310. E. Ohrendorf, H. Köppel, L. S. Cederbaum, F. Tarantelli and A. Sgamellotti
      J. Electr. Spectrosc. 51 (1990), 211
      On the Auger spectrum of ethylene

1311. W. von Niessen, P. Tomasello, J. Schirmer, L. S. Cederbaum, R. Cambi, F. Tarantelli and A. Sagmellotti
      J. Chem. Phys. 92 (1990), 4331
      Valence ionization of HCl. An investigation of many−body effects

1312. M. Müller and L. S. Cederbaum
      Phys. Rev. A 42 (1990), 170
      Many−body theory of composite electronic−positronic systems

1313. H. −D. Meyer, U. Manthe and L. S. Cederbaum
      Chem. Phys. Lett. 165 (1990), 73
      The multi−configurational time−dependent Hartree−approach

1314. R. Meiswinkel and H. Köppel
      Chem. Phys. 144 (1990), 117−128
      A Pseudo−Jahn−Teller Treatment of the Pseudorotational Spectrum of Na₃.

1315. U. Manthe and H. Köppel
      J. Chem. Phys. 93 (1990), 345−356
      New method for calculating wavepacket dynamics: strongly coupled surfaces and the adiabatic basis.

1316. U. Manthe and H. Köppel
      J. Chem. Phys. 93 (1990), 1658−1669
      Dynamics on potential energy surfaces with a conical intersection: adiabatic, intermediate and diabatic behaviour.

1317. H. Kutz and H.−D. Meyer
      J. Phys. B 23 (1990), 829−839
      Electron − HF scattering in the static−exchange approximation

1318. H. J. Korsch, H.−D. Meyer and C. P. Shukla
      Z. Phys.D 15 (1990), 227−237
      Rotational excitation in electron−molecule scattering at intermediate collision energy: A two−centre scattering model

1319. L. S. Cederbaum, F. Tarantelli and P. Winkler
      J. Phys. B 23 (1990), L747
      Non−analyticity of self−consistent field approaches: failure of predicting symmetry

1320. L. S. Cederbaum
      Int. J. Quant. Chem. S 38 (1990), 393
      On Green's function and their applications

1321. Th. Zimmermann, H. Köppel and L. S. Cederbaum
      J. Chem. Phys. 91 (1989), 3934
      Statistical fluctuations of decay rates

1322. F. Tarantelli, L. S. Cederbaum and P. Campos
      J. Chem. Phys. 91 (1989), 7039
      Symmetry breaking and symmetry restoring in ions of loosely bound systems

1323. A. Tarantelli and L. S. Cederbaum
      in: Many−Body Methods in Quantum Chemistry, ed. U. Kaldor, Springer, Heidelberg (1989)
      On the connection between effective Hamiltonians and propagators

1324. A. Tarantelli and L. S. Cederbaum
      Phys. Rev. A 39 (1989), 1656
      Particle−particle propagator in the algebraic diagrammatic construction scheme at third order

1325. A. Tarantelli and L. S. Cederbaum
      Phys. Rev. A 39 (1989), 1639
      Connection between Green's functions and effective Hamiltonians: Particle−particle propagator

1326. P. Schmelcher and L. S. Cederbaum
      Phys. Lett. A 140 (1989), 498
      New approximate constant of motion for molecular ions in a magnetic field

1327. P. Schmelcher and L. S. Cederbaum
      Phys. Rev. A 40 (1989), 3515
      Approximate constant of motion for molecular ions in a magnetic field

1328. J. Schirmer and G. Angonoa
      J. Chem. Phys. 91 (1989), 1754−1761
      On Green's function calculations of the static self−energy part, the ground state energy and expectation values.

1329. M. Rosi, A. Sgamellotti, F. Tarantelli, C. Floriani and L. S. Cederbaum
      J. Chem. Soc. Dalton Trans. 1 (1989), 33
      A theoretical study on the co−ordination of dinitrogen and related molecules to nickel

1330. T. Pacher, C. A. Mead, L. S. Cederbaum and H. Köppel
      J. Chem. Phys. 91 (1989), 7057
      Gauge theory and quasidiabatic states in molecular physics

1331. E. Ohrendorf, H. Köppel, L. S. Cederbaum, F. Tarantelli and A. Sgamellotti
      J. Chem. Phys 91 (1989), 1734
      Doubly ionized states of ethylene: Auger spectrum, potential energy surfaces and nuclear dynamics

1332. W. von Niessen, L. S. Cederbaum and F. Tarantelli
      J. Chem. Phys. 91 (1989), 3582
      Valence ionization and the electron affinities of the open and cyclic forms of Se₃ and Te₃

1333. H.−D. Meyer and S. Pal
      J. Chem. Phys. 91 (1989), 6195−6204
      A band Lanczos method for computing matrix elements of a resolvent.

1334. H.−D. Meyer
      Phys. Rev. A 40 (1989), 5605−5613
      Optical potentials for electron−molecule scattering: A comparative study on the N₂ ²Π_g−resonance.

1335. R. Meiswinkel and H. Köppel
      Chem. Phys. 129 (1989), 463−476
      Impact of totally symmetric vibrations on the E x e Jahn−Teller effect.

1336. J. Kucar and H.−D. Meyer
      J. Chem. Phys. 90 (1989), 5566
      Exact wave packet propagation using time−dependent basis sets

1337. F. Fischer, H. Köppel and L. S. Cederbaum
      Z. Phys. B 74 (1989), 513
      Influence of internal degrees of freedom on the structure of one−dimensional systems

1338. L. S. Cederbaum, F. Tarantelli, H. G. Weikert, M. K. Scheller and H. Köppel
      Angew. Chem. Int. Ed. Engl. 28 (1989), 761
      Diisocyan oder Cyanisocyan.

1339. L. S. Cederbaum, J. Schirmer and H.−D. Meyer
      J. Phys. A: Math. Gen. 22 (1989), 2427
      Block diagonalisation of Hermitian matrices

1340. Th. Zimmermann, H. Köppel, L. S. Cederbaum, G. Persch and W. Demtröder
      Phys. Rev. Lett. 61 (1988), 3
      Confirmation of random−matrix fluctuations in molecular spectra

1341. Th. Zimmermann, L. S. Cederbaum and H. Köppel
      Ber. Bunsenges. Phys. Chem. 92 (1988), 217
      Statistical properties of energy levels in non−Born−Oppenheimer systems

1342. F. Tarantelli and L. S. Cederbaum
      J. Chem. Phys. 89 (1988), 4170
      On the choice of orbital bases for configuration interaction

1343. P. Schmelcher, L. S. Cederbaum and H.−D. Meyer
      J. Phys. B 21 (1988), L445
      On the validity of the Born−Oppenheimer approximation in magnetic fields

1344. P. Schmelcher and L. S. Cederbaum
      Phys. Rev. A 37 (1988), 672
      Molecules in strong magnetic fields: Properties of atomic orbitals

1345. P. Schmelcher, L. S. Cederbaum and H.−D. Meyer
      Phys. Rev. A 38 (1988), 6066
      Electronic and nuclear motion and their couplings in the presence of a magnetic field

1346. J. Schirmer, A. Barth and F. Tarantelli
      Chem. Phys. 122 (1988), 9
      Theoretical study of K−shell excitations in formaldehyde.

1347. R. Sawatzki and L. S. Cederbaum
      Phys. Rev. A 38 (1988), 6059
      Scaled Hartree−Fock orbitals for perturbation treatment of ground and excited electronic states

1348. G. Persch, E. Medizadeh, W. Demtröder, Th. Zimmermann, H. Köppel and L. S. Cederbaum
      Ber. Bunsenges. Phys. Chem. 92 (1988), 312
      Vibronic level density of excited NO₂−states and its statistical analysis

1349. T. Pacher, L. S. Cederbaum and H. Köppel
      J. Chem. Phys. 89 (1988), 7367
      Approximately diabatic states from blockdiagonalization of the electronic Hamiltonian

1350. E. Ohrendorf, L. S. Cederbaum and H. Köppel
      Chem. Phys. Lett. 151 (1988), 273
      On multidimensional avoided crossings of potential energy surfaces

1351. H.−D. Meyer
      J. Phys. B 21 (1988), 3777−3792
      The separation of the optical potential for electron−molecule scattering into a local and non−local part.

1352. H. −D. Meyer, J. Kucar and L. S. Cederbaum
      J. Math. Phys. 29 (1988), 1417
      Time−dependent rotated Hartree: formal development

1353. H. Köppel, L. S. Cederbaum and W. Domcke
      J. Chem. Phys. 89 (1988), 2023−2040
      Interplay of Jahn−Teller and pseudo Jahn−Teller vibronic dynamics in the benzene cation.

1354. F. Fischer, H. Köppel and L. S. Cederbaum
      Phys. Rev. B 37 (1988), 9477
      Non−Peierls structural phase transitions in one−dimensional Peierls systems

1355. L. S. Cederbaum, Th. Zimmermann, K. Köppel and H.−D. Meyer
      in: Fractals, Quasicrystals, Chaos, Knots and Algebraic Quantum Mechanics, ed. A. Amann, L. S. Cederbaum and W. Gans, Kluwer Academic Publ., London (1988)
      Statistical properties of energy levels and connection to classical mechanics

1356. Th. Zimmermann, L. S. Cederbaum, H.−D. Meyer and H. Köppel
      J. Phys. Chem. 91 (1987), 4446
      Statistical properties of energy levels

1357. Th. Zimmermann and L. S. Cederbaum
      Phys. Rev. Lett. 59 (1987), 1496
      Additional properties of random matrices and their relation to Hamiltonian Systems

1358. Th. Zimmermann, H. Köppel, H.−D. Meyer and L. S. Cederbaum
      Physica Scripta 35 (1987), 125
      Energy level statistics of coupled oscillators

1359. H. −G. Weikert and L. S. Cederbaum
      Few−Body Systems 2 (1987), 33
      Particle−number−dependent theory of few− and many−body systems

1360. F. Tarantelli, A. Sgamellotti, L. S. Cederbaum and J. Schirmer
      J. Chem. Phys. 86 (1987), 2201
      Theoretical investigation of many dicationic states and the Auger spectrum of benzene

1361. J. Schirmer, G. Angonoa, S. Svensson, D. Nordfors and U. Gelius
      J. Phys. B. 20 (1987), 6031
      High energy photoelectron C1s and O1s shake−up spectra of CO.

1362. J. Schirmer, G. Angonoa and L. S. Cederbaum
      Z. Phys. D 5 (1987), 253
      On the core−hole photoelectron satellites in N₂ and CO

1363. R. Sawatzki, L. S. Cederbaum and F. Tarantelli
      J. Phys. B 20 (1987), 5259
      Non−Hartree−Fock mean fields for molecules: critical tests

1364. J. Kucar, H.−D. Meyer and L. S. Cederbaum
      Chem. Phys. Lett. 140 (1987), 525
      Time−dependent rotated Hartree approach

1365. H. Korsch, H. Kutz and H.−D. Meyer
      J. Phys. B 20 (1987), L433−L439
      Rotational rainbows in electron−molecule scattering

1366. F. Fischer, H. Köppel and L. S. Cederbaum
      Il Nuovo Cimento Lett. 9 (1987), 571
      Influence of internal degrees of freedom on the structure of one−dimensional systems

1367. W. Domcke, H. Köppel and L. S. Cederbaum
      in: Stochasticity and Intermolecular Redistribution of Energy, ed. R. Lefebvre and S. Mukamel, Reidel Publ. Company, (1987)
      Conical intersections and ultrafast radiationless decay

1368. W. Domcke, C. Mündel and L. S. Cederbaum
      Comments At. Mol. Phys. 20 (1987), 293
      Collision dynamics with non−local complex potentials

1369. W. Domcke and H. Köppel
      Chem. Phys. Lett. 140 (1987), 133−141
      Model calculation on the pump−probe measurement of ultrafast electronic population decay in polyatomic molecules.

1370. L. S. Cederbaum
      Phys. Rev. A 35 (1987), 622
      Many−body theory of multiple core holes

1371. L. S. Cederbaum, F. Tarantelli, A. Sgamellotti and J. Schirmer
      J. Chem. Phys. 86 (1987), 2168
      Double vacancies in the core of benzene

1372. G. Angonoa, O. Walter and J. Schirmer
      J. Chem. Phys. 87 (1987), 6789
      Theoretical K−shell ionization spectra of N₂ and CO by a fourth−order Green's function method.

1373. Th. Zimmermann, H.−D. Meyer, H. Köppel and L. S. Cederbaum
      Phys. Rev. A 33 (1986), 4334
      Manifestation of classical chaos in the statistics of quantum energy levels

1374. P. Tomasello, W. von Niessen, J. Schirmer and L. S. Cederbaum
      J. Electr. Spectrosc. 40 (1986), 193
      A Green's function calculation of the lowest ionization potential of some radicals

1375. R. Sawatzki and L. S. Cederbaum
      Chem. Phys. Lett. 126 (1986), 430
      On the choice of unperturbed Hamiltonians and the convergence of perturbation theory

1376. W. von Niessen, P. Tomasello, J. Schirmer and L. S. Cederbaum
      Aust. J. Phys. 39 (1986), 687
      Recent progress in a Green's function method for the calculation of ionization spectra

1377. W. von Niessen, L. S. Cederbaum and J. Schirmer
      J. Electr. Spectrosc. 41 (1986), 235
      Theoretical investigation on the ionic main and satellite states of some quinone and benzene like molecules: a search for low lying satellite states

1378. W. von Niessen, J. Schirmer and L. S. Cederbaum
      J. Chem. Soc. Faraday II, 82 (1986), 1489
      On the ionic states of S₂N₂ and the assignment of the photoelectron spectrum

1379. H.−D. Meyer
      J. Chem. Phys. 84 (1986), 3147−3161
      Theory of the Liapunov exponents of Hamiltonian system and a numerical study on the transition from regular to irregular classical motion.

1380. H.−D. Meyer
      Phys. Rev. A 34 (1986), 1797−1809
      Electron−molecule scattering treated with the use of separable approximations for the nonlocal part of the interaction: Static exchange calculation for e⁻+H₂ and e⁻+N₂.

1381. H. Estrada, L. S. Cederbaum and W. Domcke
      J. Chem. Phys. 84 (1986), 152
      Vibronic coupling of short−lived electronic states

1382. W. Domcke, M. Berman, C. Mündel and H.−D. Meyer
      Phys. Rev. A 33 (1986), 222
      Direct calculation of complex resonance poles using separable expansions of the potential: Application to the ²Σ⁺_u shape resonance in electron−H₂ scattering

1383. L. S. Cederbaum, F. Tarantelli, A. Sgamellotti and J. Schirmer
      J. Chem. Phys. 85 (1986), 6513
      On double vacancies in the core

1384. L. S. Cederbaum, W. Domcke, J. Schirmer and W. von Niessen
      Adv. Chem. Phys. 65 (1986), 115
      Correlation effects in the ionization of molecules: Breakdown of the molecular orbital picture

1385. Th. Zimmermann, H. Köppel and L. S. Cederbaum
      J. Chem. Phys. 83 (1985), 4697
      On the bilinear vibronic coupling mechanism

1386. O. Walter, L. S. Cederbaum, B. Solouki, P. Rosmus and H. Bock
      J. Phys. Chem. 89 (1985), 1384
      Ionic states of nitrosyl cyanide

1387. F. Tarantelli, A. Tarantelli, A. Sgamellotti, J. Schirmer and L. S. Cederbaum
      Chem. Phys. Lett. 117 (1985), 577
      On the doubly ionized states of ammonia

1388. F. Tarantelli, A. Tarantelli, A. Sgamellotti, J. Schirmer and L. S. Cederbaum
      J. Chem. Phys. 83 (1985), 4683
      A Green's function and configuration interaction investigation on the doubly ionized states of H₂O

1389. F. Tarantelli, J. Schirmer, A. Sgamellotti and L. S. Cederbaum
      Chem. Phys. Lett. 122 (1985), 169
      On the Auger spectrum of silane

1390. E. Haller, H. Köppel and L. S. Cederbaum
      J. Mol. Spectrosc. 111 (1985), 377
      The visible absorption spectrum of NO₂: a three−mode nuclear dynamics investigation

1391. R. Gleiter, H. Köppel, P. Hofmann, H. R. Schmidt and J. Ellermann
      Inorg. Chem. 24 (1985), 4020
      Electronic structure of the P3, As3 and Sb3 units in a nortricyclane skeleton

1392. L. S. Cederbaum, E. Haller and P. Pfeifer
      Phys. Rev. A 31 (1985), 1869
      Fractal dimension function for energy levels

1393. A. Barth and J. Schirmer
      J. Phys. B. 18 (1985), 867
      Theoretical core−level excitation spectra of N₂ and CO by a new polarisation propagator method.

1394. O. Walter, L. S. Cederbaum and J. Schirmer
      J. Math. Phys. 25 (1984), 729
      The eigenvalue problem for arrow matrices

1395. J. Schirmer and A. Barth
      Z. Phys. A. 317 (1984), 267
      Higher−order approximations for the particle−particle propagator.

1396. W. von Niessen, J. Schirmer and L. S. Cederbaum
      Computer Physics Reports 1 (1984), 57
      Computational methods for the one−particle Green's function

1397. H.−D. Meyer, E. Haller, H. Köppel and L. S. Cederbaum
      J. Phys. A 17 (1984), L831
      On the connection between irregular trajectories and the distribution of quantum level spacings

1398. H.−D. Meyer and J. P. Toennies
      Surface Science 148 (1984), 58−71
      A classical path approximation for diffractive scattering

1399. H.−D. Meyer and H. Köppel
      J. Chem. Phys. 81 (1984), 2605−2619
      Time evolution of fluorescence and strong nonadiabatic effects.

1400. H.−D. Meyer and R. D. Levine
      Chem. Phys. 85 (1984), 189−200
      Multiphonon energy transfer in atom−surface scattering.

1401. H. J. Korsch, R. Möhlenkamp and H.−D. Meyer
      J. Phys. B 17 (1984), 2955−2969
      On the canonical product expansion of the S−matrix

1402. H. Köppel, W. Domcke and L. S. Cederbaum
      Adv. Chem. Phys. 57 (1984), 59−246
      Multimode molecular dynamics beyond the Born−Oppenheimer approximation.

1403. H. Köppel, L. S. Cederbaum and W. Domcke
      Chem. Phys. Lett. 110 (1984), 469
      Strong non−adiabatic effects in C₂D₄⁺

1404. H. Köppel and H.−D. Meyer
      Chem. Phys. Lett. 107 (1984), 149−154
      Novel aspects of ultrafast non−radiative processes.

1405. E. Haller, H. Köppel and L. S. Cederbaum
      Phys. Rev. Lett. 52 (1984), 1665
      Uncovering the transition from regularity to irregularity in a quantum system

1406. W. Domcke, M. Berman, H. Estrada, C. Mündel and L. S. Cederbaum
      J. Phys. Chem. 88 (1984), 4862
      Aspects of nuclear dynamics in short−lived negative ion states

1407. R. Cambi, W. von Niessen and J. Schirmer
      Chem. Phys. 86 (1984), 389
      A theoretical ivestigation of the complete valence ionization spectra of cynamide, isocyanamide, diazirine and diazomethane

1408. J. Schirmer and O. Walter
      Chem. Phys. 78 (1983), 201
      Complete valence−shell ionization spectra of N₂ and CO: Application of the extended Two−particle−hole Tamm−Dancoff approximation (2ph−TDA).

1409. J. Schirmer, L. S. Cederbaum and O. Walter
      Phys. Rev. A 28 (1983), 1237
      New Approach to the one−particle Green's function for finite Fermi systems

1410. W. von Niessen, J. Schirmer and L. S. Cederbaum
      in: Methods in Computational Molecular Physics, ed. G. H. F. Diercksen and S. Wilson, Reidel, Dordrecht (1983)
      On a Green's function method for the calculation of ionization spectra in the outer and inner valence region

1411. H.−D. Meyer
      J. Phys. B 16 (1983), 2785−2800
      The analytically continued S−matrix for potentials defined as a sum of exponentials: II. The multichannel problem

1412. H.−D. Meyer
      J. Phys. B 16 (1983), 2265−2287
      The analytically continued S−matrix for potentials defined as a sum of exponentials: I. The single−channel problem

1413. H.−D. Meyer
      Chem. Phys. 82 (1983), 199−205
      A classical model of vibronic coupling

1414. H. Köppel
      Chem. Phys. 77 (1983), 359−375
      Ultrafast non−radiative decay via conical intersections of molecular potential energy surfaces: C₂H₄⁺.

1415. H. Köppel, L. S. Cederbaum, W. Domcke and S. S. Shaik
      Angew. Chem. Int. Ed. Engl. 22 (1983), 210−224
      Symmetriebrechung und nicht−Born−Oppenheimer−Effekt in Radikalkationen.

1416. E. Haller, H. Köppel and L. S. Cederbaum
      Chem. Phys. Lett. 101 (1983), 215
      On the statistical behaviour of molecular vibronic energy levels

1417. E. Haller, H. Köppel, L. S. Cederbaum, W. von Niessen and G. Bieri
      J. Chem. Phys. 78 (1983), 1359
      Multimode Jahn−Teller and pseudo−Jahn−Teller effects in BF₃⁺

1418. H. Estrada, M. Berman, L. S. Cederbaum and W. Domcke
      Chem. Phys. Lett. 97 (1983), 352
      Theoretical study of electron transmission through N₂

1419. W. Domcke and L. S. Cederbaum
      in: Electron−Atom and Electron−Molecule Collisions, ed. J. Hinze, Plenum, (1983)
      Dynamical theory of resonant electron−molecule scattering near threshold

1420. L. S. Cederbaum
      J. Chem. Phys. 78 (1983), 5714
      The multistate vibronic coupling problem

1421. M. Berman, L. S. Cederbaum and W. Domcke
      J. Phys. B 16 (1983), 875
      Analysis of the ambiguities in the definition of the local complex potential in resonant electron−molecule scattering

1422. M. Berman, O. Walter and L. S. Cederbaum
      Phys. Rev. Lett. 50 (1983), 1979
      Electron−molecule scattering in the optical−potential approach: surpassing second order

1423. M. Berman, H. Estrada, L. S. Cederbaum and W. Domcke
      Phys. Rev. A 28 (1983), 1363
      Nuclear dynamics in resonant electron−molecule scattering beyond the local approximation: The 2.3 eV shape resonance in N₂

1424. J. Schirmer
      Phys. Rev. A 26 (1982), 2395−2416
      Beyond the random−phase approximation: A new approximation scheme for the polarization propagator.

1425. W. von Niessen, L. S. Cederbaum, J. Schirmer, G. H. F. Diercksen and W. P. Kraemer
      J. Electr. Spectry. 28 (1982), 45
      Ionization energies of some molecules found in interstellar clouds calculated by a Green's function method

1426. W. von Niessen, G. Bieri, J. Schirmer and L. S. Cederbaum
      Chem. Phys. 65 (1982), 157
      Hole−mixing effects in the ionization of some unsaturated oxo−compounds

1427. H.−D. Meyer and O. Walter
      J. Phys. B 15 (1982), 3647−3668
      On the calculation of S−matrix poles using the Siegert Method.

1428. H. Köppel, L. S. Cederbaum and W. Domcke
      J. Chem. Phys. 77 (1982), 2014−2022
      Strong nonadiabatic effects and conical intersections in molecular spectroscopy and unimolecular decay: C₂H₄⁺.

1429. H. Köppel, L. S. Cederbaum and W. Domcke
      Chem. Phys. 69 (1982), 175
      Strong non−Condon effects induced by electron correlation: N₂O⁺

1430. E. Haller, H. Köppel, L. S. Cederbaum, G. Bieri and W. von Niessen
      Chem. Phys. Lett. 85 (1982), 12
      Excitation of degenerate vibrations in non−degenerate electronic bands

1431. W. Domcke and L. S. Cederbaum
      in: Physics of Electronic and Atomic Collisions, ed. S. Datz, North Holland, (1982)
      Theoretical methods for low−energy electron−molecule scattering

1432. L. S. Cederbaum and H. Köppel
      Chem. Phys. Lett 87 (1982), 14
      What happens when several closely lying electronic states interact through nuclear motion?

1433. O. Walter, J. Schirmer and L. S. Cederbaum
      in: Inner−shell and X−ray Physics of Atoms and Solids, ed. D. J. Fabian, H. Kleinpoppen and L. M. Watson, Plenum, (1981)
      The particle−hole Tamm−Dancoff Green's function applied to the calculation of atomic ionization energies

1434. O. Walter and J. Schirmer
      J. Phys. B. 14 (1981), 3805
      The two−particle−hole Tamm−Dancoff approximation (2ph−TDA) for atoms.

1435. R. Unwin, I. Khan, N. v. Richardson, A. M. Bradshaw, L. S. Cederbaum and W. Domcke
      Chem. Phys. Lett. 77 (1981), 242
      The effect of a resonance on vibrational structure in the photoelectron spectrum of acetylene

1436. J. Schirmer, L. S. Cederbaum and W. von Niessen
      Chem. Phys. 56 (1981), 285
      Two−hole−one−particle configuration interaction approach for the ionization of open−shell molecules: application to NO₂

1437. W. von Niessen and L. S. Cederbaum
      Mol. Phys. 43 (1981), 897
      Many−body calculations on the ionization spectra of transition metal compounds: ZnCl₂, CdCl₂ and NiCl₂

1438. W. von Niessen, L. S. Cederbaum, W. Domcke and G. H. F. Diercksen
      Chem. Phys. 56 (1981), 43
      Green's function calculations on the complete valence ionization spectra of HF, HCl, HBr and HI

1439. W. von Niessen, W. P. Kraemer and J. Schirmer
      J. Chem Soc.,Faraday Trans. 2 77 (1981), 1461
      Green's function calculations on the valence ionization spectra of cyclopropene, diazirine, dioxiran and thiiran

1440. H.−D. Meyer
      Chem. Phys. 61 (1981), 365−383
      On the forced harmonic oscillator with time−dependent frequency.

1441. H.−D. Meyer
      Surface Science 104 (1981), 117−160
      A semiclassical approach to inelastic scattering from solid surfaces and to the Debye−Waller factor.

1442. P. W. Langhoff, S. R. Langhoff, T. N. Rescigno, J. Schirmer, L. S. Cederbaum, W. Domcke and W. von Niessen
      Chem. Phys. 58 (1981), 71
      Theoretical studies of inner−valence−shell photoionization cross sections in N₂ and CO

1443. H. Köppel, W. Domcke and L. S. Cederbaum
      J. Chem. Phys. 74 (1981), 2945−2968
      Theory of vibronic coupling in linear molecules.

1444. W. Domcke, H. Köppel and L. S. Cederbaum
      Mol. Phys. 43 (1981), 851
      Spectroscopic effects of conical intersections of molecular potential energy surfaces

1445. W. Domcke and L. S. Cederbaum
      J. Phys. B 14 (1981), 149
      On the interpretation of low−energy electron−HCl scattering phenomena

1446. J. P. D. Cook, M. G. White, C. E. Brion, W. Domcke, J. Schirmer, L. S. Cederbaum and W. von Niessen
      J. Electr. Spectry. 22 (1981), 261
      On the valence shell binding energy spectrum of carbonyl sulphide

1447. L. S. Cederbaum and W. Domcke
      J. Phys. B 14 (1981), 4665
      Local against non−local complex potential in resonant electron−molecule scattering

1448. L. S. Cederbaum, H. Köppel and W. Domcke
      Int. J. Quant. Chem. S 15 (1981), 251
      Multimode vibronic coupling effects in molecules

1449. A. Barth and L. S. Cederbaum
      Phys. Rev. A 23 (1981), 1038
      Many−body theory of core−valence excitations

1450. J. Schirmer, L. S. Cederbaum and J. Kiessling
      Phys. Rev. A 22 (1980), 2696
      Branching ratios for ionization processes

1451. W. von Niessen, L. S. Cederbaum, W. Domcke and J. Schirmer
      in: Computational Methods in Chemistry, ed. J. Bargon, Plenum, (1980)
      Phenomena in photoelectron spectroscopy and their theoretical calculation

1452. H.−D. Meyer and W. H. Miller
      J. Chem. Phys. 72 (1980), 2272−2281
      Analysis and extension of some recently proposed classical models for electronic degrees of freedom.

1453. C. H. Maier, L. S. Cederbaum and W. Domcke
      J. Phys. B 13 (1980), L119
      A spherical box approach to resonances

1454. H. Köppel, E. Haller, L. S. Cederbaum and W. Domcke
      Mol. Phys. 41 (1980), 669−677
      Jahn−Teller effect for very strong coupling.

1455. E. Haller, L. S. Cederbaum, W. Domcke and H. Köppel
      Chem. Phys. Lett. 72 (1980), 427
      Two−mode Jahn−Teller effect in NH₃⁺

1456. E. Haller, L. S. Cederbaum and W. Domcke
      Mol. Phys. 41 (1980), 1291
      The E x (epsilon + epsilon) Jahn−Teller−effect

1457. W. Domcke and L. S. Cederbaum
      J. Phys. B 13 (1980), 2829
      Vibration−induced narrowing of electron scattering resonances near threshold

1458. L. S. Cederbaum, E. Haller and W. Domcke
      Solid State Comm. 35 (1980), 879
      Effective single−mode Hamiltonian for the calculation of multi−mode Jahn−Teller band shapes

1459. L. S. Cederbaum, W. Domcke, J. Schirmer and W. von Niessen
      Phys. Scripta 21 (1980), 481
      Many−body effects in valence and core photoionization of molecules

1460. L. S. Cederbaum, W. Domcke and J. Schirmer
      Phys. Rev. A 22 (1980), 206
      Many−body theory of core holes

1461. L. S. Cederbaum, W. Domcke, J. Schirmer and H. Köppel
      J. Chem. Phys. 72 (1980), 1348
      Dynamical calculation of satellite intensities

1462. A. M. Bradshaw, W. Eberhardt, H. J. Levinson, W. Domcke and L. S. Cederbaum
      Chem. Phys. Lett. 70 (1980), 36
      Photon energy dependence of satellite line intensity in the photoelectron spectrum of acetylene

1463. J. Schirmer, W. Domcke, L. S. Cederbaum, W. von Niessen and L. Åsbrink
      Chem. Phys. Lett. 61 (1979), 30
      Strong correlation effects in the ionization of CS₂

1464. W. von Niessen, L. S. Cederbaum and W. Domcke
      in: Excited States in Quantum Chemistry, ed. C. A. Nicolaides and D. R. Beck, D. Reidel, London (1979)
      On Green's function methods for the study of ionic states in atoms and molecules

1465. H.−D. Meyer and W. H. Miller
      J. Chem. Phys. 70 (1979), 3214−3223
      A classical analog for electronic degrees of freedom.

1466. H.−D. Meyer and W. H. Miller
      J. Chem Phys. 71 (1979), 2156−69
      Classical models for electronic degrees of freedom: Derivation via spin analogy and application to F^* + H₂ → F + H₂

1467. C. W. McCurdy, H.−D. Meyer and W. H. Miller
      J. Chem Phys. 70 (1979), 3177−87
      Classical model for electronic degrees of freedom in nonadiabatic collision processes: Pseudopotential analysis and calculations for F(²P_1/2) + H⁺, Xe → F(²P_3/2) + H⁺, Xe

1468. H. Köppel and C. A. Coulson
      J. Mol. Spectr. 75 (1979), 64−69
      On the pure rotational spectrum of BF₃ in its vibronic ground state.

1469. H. Köppel, L. S. Cederbaum, W. Domcke and W. von Niessen
      Chem. Phys. 37 (1979), 303−317
      Vibronic coupling in linear molecules and linear−to−bent transitions: HCN⁺.

1470. F. Kaspar, W. Domcke and L. S. Cederbaum
      Chem. Phys. 44 (1979), 33
      The influence of finite lifetime of electronic states on the vibrational structure of molecular electronic spectra

1471. U. Gerlach−Meyer, E. Hulpke and H.−D. Meyer
      Chem Phys. 36 (1979), 327−344
      In plane surface scattering in two and three dimensions. Rainbow structure, energy spectra and the influence of surface temperature

1472. W. Domcke, L. S. Cederbaum and F. Kaspar
      J. Phys. B 12 (1979), L359
      Threshold phenomena in electron−molecule scattering: a non−adiabatic theory

1473. W. Domcke, L. S. Cederbaum, J. Schirmer, W. von Niessen, C. E. Brion and K. H. Tan
      Chem. Phys. 40 (1979), 171
      Experimental and theoretical investigation of the complete valence shell ionization of CO₂ and N₂O

1474. W. Domcke, L. S. Cederbaum, J. Schirmer and W. von Niessen
      Chem. Phys. 39 (1979), 149
      Negative shake−up energies in core electron ionization

1475. W. Domcke, L. S. Cederbaum, J. Schirmer and W. von Niessen
      Phys. Rev. Lett. 42 (1979), 1237
      Negative shake−up energies in core electron ionization

1476. J. Schirmer, L. S. Cederbaum, W. Domcke and W. von Niessen
      Chem. Phys. Lett. 57 (1978), 582
      Complete breakdown of the quasiparticle picture for inner valence electrons: hydrogen cyanide and formic acid

1477. J. Schirmer, W. Domcke, L. S. Cederbaum and W. von Niessen
      J. Phys. B 11 (1978), 1901
      Breakdown of the molecular orbital picture of ionization: CS, PN and P₂

1478. J. Schirmer and L. S. Cederbaum
      J. Phys. B 11 (1978), 1889
      The 2ph−TDA equations for closed−shell atoms and molecules

1479. W. von Niessen, G. H. F. Diercksen and L. S. Cederbaum
      J. Am. Chem. Soc. 100 (1978), 6347
      On the assignment of the photoelectron spectrum of trans−oxalyl fluoride

1480. W. von Niessen, W. Domcke, L. S. Cederbaum and J. Schirmer
      J. Chem. Soc. Faraday Trans. II 74 (1978), 1550
      Interpretation of the photoelectron spectrum of N₂O₄

1481. H. Köppel, W. Domcke, L. S. Cederbaum and W. von Niessen
      J. Chem. Phys. 69 (1978), 4252
      Vibronic coupling effects in the photoelectron spectrum of ethylene

1482. H. Köppel, W. Domcke, W. von Niessen and L. S. Cederbaum
      Mol. Phys. 35 (1978), 1283
      On the Jahn−Teller effect in NH₃⁺

1483. W. Domcke, L. S. Cederbaum, J. Schirmer and W. von Niessen
      J. Electr. Spectry. 14 (1978), 59
      Breakdown of the molecular orbital picture of ionization for inner valence electron: experimental and theoretical study of H₂S and PH₃

1484. W. Domcke and L. S. Cederbaum
      Surface Sc. 72 (1978), 223
      Remark on fixed−molecule high−energy photoelectron angular distribution

1485. W. Domcke and L. S. Cederbaum
      J. Electr. Spectry. 13 (1978), 161
      Electronic recoil effects in high−energy photoelectron spectroscopy

1486. L. S. Cederbaum, J. Schirmer, W. Domcke and W. von Niessen
      Int. J. Quant. Chem. 14 (1978), 593
      On the adequacy of the molecular orbital picture for describing ionization processes

1487. L. S. Cederbaum, W. Domcke and H. Köppel
      Chem. Phys. 33 (1978), 319
      Jahn−Teller effect induced by non−degenerate vibrational modes in cumulenes

1488. L. S. Cederbaum, W. Domcke, J. Schirmer, W. von Niessen, G. H. F. Diercksen and W. P. Kraemer
      J. Chem. Phys. 69 (1978), 1591
      Correlation effects in the ionization of hydrocarbons

1489. J. Schirmer, L. S. Cederbaum, W. Domcke and W. von Niessen
      Chem. Phys. 26 (1977), 169
      Strong correlation effects in inner−valence ionization of N₂ and CO

1490. J. Schirmer and L. S. Cederbaum
      Phys. Rev. A 16 (1977), 1575
      A simple scheme for determining multiplet ratios in ionization and electron attachment processes

1491. W. von Niessen, L. S. Cederbaum and W. P. Kraemer
      Theoret. Chim. Acta 44 (1977), 85
      The electronic structure of molecules by a many−body approach. VIII. Ionization potentials of the three−membered ring molecules C₃H₅, C₂H₄O, C₂H₅N

1492. W. von Niessen, L. S. Cederbaum, W. Domcke and G. H. F. Diercksen
      J. Chem. Phys. 66 (1977), 4893
      Many−body calculations on molecules with second−raw atoms: H₂S and H₂CS

1493. W. von Niessen, W. Domcke, L. S. Cederbaum and W. P. Kraemer
      J. Chem. Phys. 67 (1977), 44
      Ionization potentials and vibrational structure in photoelectron spectra by a Green's function method: trans HNNH, cis−HNNH and 1,1−dihydrodiazine

1494. W. von Niessen, G. H. F. Diercksen and L. S. Cederbaum
      J. Chem. Phys. 67 (1977), 4124
      On the accuracy of ionization potentials calculated by Green's functions

1495. W. von Niessen, G. H. F. Diercksen and L. S. Cederbaum
      Chem. Phys. Lett. 45 (1977), 295
      The electronic structure of molecules by a many−body approach. VII. Ionization potentials of para−difluorobenzene

1496. W. von Niessen, W. P. Kraemer and L. S. Cederbaum
      Chem. Phys. 24 (1977), 245
      Trans−N₂F and cis−N₂F₂: a Green's function calculation on their photoelectron spectra

1497. W. von Niessen, L. S. Cederbaum and W. P. Kraemer
      Mol. Phys. 33 (1977), 1415
      On the controversial assignment of the photoelectron spectrum of SO₃

1498. W. Domcke and L. S. Cederbaum
      J. Phys. B 10 (1977), L47
      A simple formula for the vibrational structure of resonances in electron−molecule scattering

1499. W. Domcke, L. S. Cederbaum, W. von Niessen and G. H. F. Diercksen
      J. Electr. Spectry. 11 (1977), 239
      On the photoelectron spectrum of PN

1500. W. Domcke and L. S. Cederbaum
      Chem. Phys. 25 (1977), 189
      Vibronic coupling and symmetry breaking in core electron ionization

1501. W. Domcke, L. S. Cederbaum, H. Köppel and W. von Niessen
      Mol. Phys. 34 (1977), 1759
      A comparison of different approaches to the calculation of Franck−Condon factors for polyatomic molecules

1502. W. Domcke and L. S. Cederbaum
      Phys. Rev. A 16 (1977), 1465
      Theory of vibrational structure of resonances in electron−molecule scattering

1503. L. S. Cederbaum, J. Schirmer, W. Domcke and W. von Niessen
      J. Phys. B 10 (1977), L549
      Complete breakdown of the quasiparticle picture for inner valence electrons

1504. L. S. Cederbaum, K. Schönhammer and W. von Niessen
      Phys. Rev. A 15 (1977), 833
      Electron affinities by a variation−perturbation approach

1505. L. S. Cederbaum and W. Domcke
      J. Chem. Phys. 66 (1977), 5084
      Localized and delocalized core holes and their interrelation

1506. L. S. Cederbaum, W. Domcke, W. von Niessen and W. P. Kramer
      Mol. Phys. 34 (1977), 381
      A difficult assignment problem. The ionic states of ozone and sulphur dioxide

1507. L. S. Cederbaum, W. Domcke and W. von Niessen
      J. Phys. B 10 (1977), 2963
      A many−body calculation of the electron affinity of C₂

1508. L. S. Cederbaum and W. Domcke
      Adv. Chem. Phys. 36 (1977), 205
      Theoretical aspects of ionization potentials and photoelectron spectroscopy: a many−body approach

1509. L. S. Cederbaum, W. Domcke, H. Köppel and W. von Niessen
      Chem. Phys. 26 (1977), 149
      Strong vibronic coupling effects in ionization spectra: the mystery band of butatriene

1510. L. S. Cederbaum and J. Schirmer
      Mol. Phys. 33 (1977), 1407
      An extended statistical law for photoionization and electron−attachment processes

1511. L. S. Cederbaum, W. Domcke and W. von Niessen
      Mol. Phys. 33 (1977), 1399
      Radiative electron attachment spectra of O₃ and SO₂: a theoretical investigation

1512. A. M. Bradshaw, W. Domcke and L. S. Cederbaum
      Phys. Rev. B 16 (1977), 1480
      Intrinsic and extrinsic plasmon coupling in x−ray photoemission from core states of adsorbed atoms

1513. W. von Niessen, G. H. F. Diercksen, L. S. Cederbaum and W. Domcke
      Chem. Phys. 18 (1976), 469
      Ionization potentials of Ethylene, Allene and Butatriene by a Green's function method

1514. W. von Niessen, L. S. Cederbaum and G. H. F. Diercksen
      J. Am. Chem. Soc. 98 (1976), 2066
      The electronic structure of molecules by a many−body approach. IV. Ionization potentials and one−electron properties of pyrrole and phosphole

1515. W. von Niessen, W. P. Kraemer and L. S. Cederbaum
      J. Electr. Spectr. 8 (1976), 179
      The electronic structure of molecules by a many−body approach. III. Ionization potentials and one−electron properties of furan and thiophene

1516. W. von Niessen, L. S. Cederbaum and W. P. Kraemer
      J. Chem. Phys. 65 (1976), 1378
      The electronic structure of molecules by a many−body approach. I. Ionization potentials and one−electron properties of benzene

1517. W. von Niessen, L. S. Cederbaum, W. Domcke and G. H. F. Diercksen
      Mol. Phys. 32 (1976), 1057
      Ionization potentials of HCN and HNC by a Green's function method

1518. H.−D. Meyer and K. T. Tang
      Z. Physik A 279 (1976), 349−355
      s−wave resonances with square well potentials

1519. W. Domcke and L. S. Cederbaum
      J. Chem. Phys. 64 (1976), 612
      A many−body approach to the vibrational structure in molecular electronic spectra. II. Application to nitrogen, carbon monoxide and formaldehyde

1520. W. Domcke, L. S. Cederbaum, W. von Niessen and W. P. Kraemer
      Chem. Phys. Lett. 43 (1976), 258
      Calculations of the HeI photoelectron spectrum of CS including satellite lines

1521. L. S. Cederbaum and W. Domcke
      J. Chem. Phys. 64 (1976), 603
      Vibrational structure in electronic transitions: a general theory

1522. L. S. Cederbaum and W. Domcke
      Z. Phys. A 277 (1976), 221
      Vibrational excitation of molecules by resonant electron scattering: theory and application to benzene

1523. K. Schönhammer and L. S. Cederbaum
      Phys. Lett. 51A (1975), 325
      On a variational−perturbational method for large perturbations

1524. W. von Niessen, L. S. Cederbaum, G. H. F. Diercksen and H. Hohlneicher
      Chem. Phys. 11 (1975), 399
      The electronic structure of molecules by a many−body approach: SF₆

1525. W. von Niessen, Kraemer and L. S. Cederbaum
      Chem. Phys. 11 (1975), 385
      The electronic structure of Molecules by a many−body approach. V. Ionization potentials and one−electron properties of cyclopentadiene and 1−sila−cyclopentadiene−(2,4)

1526. W. von Niessen, G. H. P. Diercksen and L. S. Cederbaum
      Chem. Phys. 10 (1975), 345
      The electronic structure of molecules by a many−body approach. II. Ionization potentials and one−electron properties of pyridine and phosphoridine

1527. W. Domcke and L. S. Cederbaum
      Chem. Phys. Lett. 31 (1975), 582
      On the vibrational structure in inner−shell ionization spectra by a many−body approach

1528. L. S. Cederbaum, W. Domcke and W. von Niessen
      Chem. Phys. Lett. 34 (1975), 60
      On the controversial assignment of the ionization potentials of formaldehyde

1529. L. S. Cederbaum and P. Matschke
      Phys. Rev. A 12 (1975), 6
      Hyperfine coupling constants by a many−body approach

1530. L. S. Cederbaum, W. Domcke and W. von Niessen
      Chem. Phys. 10 (1975), 459
      A theoretical photoelectron spectrum of cyanogen by a Green's function method

1531. L. S. Cederbaum, K. Schönhammer and W. von Niessen
      Chem. Phys. Lett. 34 (1975), 392
      A simple variational−perturbational approach to the correlation problem in atoms and molecules

1532. L. S. Cederbaum and W. von Niessen
      J. Chem. Phys. 62 (1975), 3824
      On the ionization potentials of N₂ by a Green's function approach

1533. L. S. Cederbaum, W. Domcke, W. von Niessen and W. Brenig
      Z. Physik 21 (1975), 381
      On the interpretation of the photoelectron spectrum of CO chemisorbed on Ni

1534. L. S. Cederbaum
      J. Phys. B 8 (1975), 290
      One−body Green's function for atoms and molecules: theory and application

1535. L. S. Cederbaum and K. Schönhammer
      Phys. Rev. A 12 (1975), 2257
      A simple variational approach to perturbation theory

1536. L. S. Cederbaum
      J. Chem. Phys. 62 (1975), 2160
      Non−single−particle excitations in finite Fermi systems

1537. A. M. Bradshaw, L. S. Cederbaum and W. Domcke
      in: Structure and Bonding, ed. , Springer Verlag, Heidelberg (1975)
      Ultraviolet photoelectron spectroscopy of gases adsorbed on metal surfaces

1538. B. Kellerer, L. S. Cederbaum and G. Hohlneicher
      J. Elec. Spectr. 3 (1974), 107
      Calculation of Koopman's defect using semiempirical molecular orbital methods

1539. L. S. Cederbaum
      in: Proceedings of the VI. International Conference on Vacuum−Ultraviolet Radiation Physics, ed. E. E. Koch and others, Vieweg, Braunschweig (1974)
      Green's function for excitations accompanying ionization in atoms and molecules

1540. L. S. Cederbaum
      Chem. Phys. Lett. 25 (1974), 562
      A simple explanation of the breakdown of Koopman's theorem for F₂ and N₂

1541. L. S. Cederbaum
      Mol. Phys. 28 (1974), 479
      Application of Green's functions to excitations accompanying photoionization in atoms and molecules

1542. L. S. Cederbaum and W. Domcke
      Chem. Phys. Lett. 25 (1974), 357
      An analogon to Koopman's theorem for the problem of vibrational structure in electron detachment spectra

1543. L. S. Cederbaum and W. Domcke
      J. Chem. Phys. 60 (1974), 2878
      On the vibrational structure in photoelectron spectra by the method of Green's functions

1544. L. S. Cederbaum and W. von Niessen
      Chem. Phys. Lett. 24 (1974), 263
      Direct calculation of ionization potentials of atoms and molecules: application to Ne

1545. L. S. Cederbaum and J. Schirmer
      Z. Physik 271 (1974), 221
      Many−body Green's functions for open−shell atoms and molecules

1546. L. S. Cederbaum and W. von Niessen
      Phys. Lett. 47A (1974), 199
      A new approach to calculation of electron affinities

1547. A. M. Bradshaw, L. S. Cederbaum, W. Domcke and U. Krause
      J. Phys. C 7 (1974), 4503
      Plasmon coupling to core hole excitations in carbon

1548. A. M. Bradshaw, L. S. Cederbaum and W. Domcke
      in: Proceedings of the IV. International Conference on Vacuum−Ultraviolet Radiation Physics, ed. E. E. Koch and others, Vieweg, Braunschweig (1974)
      Plasmon coupling to core hole excitations

1549. J. Schirmer, S. Knaak and G. Süssman
      Nucl. Phys. A 199 (1973), 31
      Viscosity coefficients for nuclear fission

1550. L. S. Cederbaum, G. Hohlneicher and W. von Niessen
      Chem. Phys. Letters 18 (1973), 503
      On the breakdown of the Koopman's theorem for nitrogen

1551. L. S. Cederbaum
      Theoret. Chim. Acta 31 (1973), 239
      Direct calculation of ionization potentials of closed−shell atoms and molecules

1552. L. S. Cederbaum, G. Hohlneicher and W. von Niessen
      Mol. Phys. 26 (1973), 1405
      Improved calculations of ionization potentials of closed−shell molecules

1553. G. Hohlneicher, F. Ecker and L. S. Cederbaum
      in: Electron Spectroscopy, ed. D. A. Shirley, North Holland, Amsterdam (1972)
      Direct calculation of ionization potentials by means of a perturbation method based on the use of Green's functions

1554. G. Strey, L. S. Cederbaum and K. Engelke
      J. Chem. Phys. 54 (1971), 4402
      Isotope rules for the harmonic vibrational frequencies of isotopic molecules: a generalization of Mayant's method

1555. L. S. Cederbaum, G. Hohlneicher and S. Peyerimhoff
      Chem. Phys. Lett. 11 (1971), 421
      Calculation of vertical ionization potentials of formaldehyde by means of perturbation theory