Siegel | Universität Heidelberg | Zukunft seit 1386
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Prof. Dr. Alexander I. Kuleff


List of Publications

(Last update: 13.02.2024)



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

  2. X. Xue, S. Jia, J. Zhou, A. D. Skitnevskaya, E. Wang, X. Wang, X. Hao, Q. Zeng, A. I. Kuleff, A. Dorn, and X. Ren
    Revealing the role of N heteroatoms in noncovalent aromatic interactions by ultrafast intermolecular Coulombic decay
    J. Phys. Chem. Lett. 15, 1529 (2024)

  3. E. Belles, F. Rabilloud, A. I. Kuleff, and V. Despré
    Size effect in correlation-driven charge migration in correlation bands of alkyne chains
    J. Phys. Chem. A 128, 163 (2024)

  4. M. Han, J. Fedyk, J.-B. Ji, V. Despré, A. I. Kuleff, and H. J. Wörner
    Observation of nuclear wave-packet interference in ultrafast interatomic energy transfer
    Phys. Rev. Lett. 130, 253202 (2023)

  5. J. Vester, V. Despré, and A. I. Kuleff
    The role of symmetric vibrational modes in the decoherence of correlation-driven charge migration
    J. Chem. Phys. 158, 104305 (2023)

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

  7. K. Chordiya, V. Despré, B. Nagyillés, F. Zeller, Z. Diveki, A. I. Kuleff, and M. U. Kahaly
    Photo-ionization initiated differential ultrafast charge migration: impacts of molecular symmetries and tautomeric forms
    Phys. Chem. Chem. Phys. 25, 4472 (2023)

  8. A. D. Skitnevskaya, K. Gokhberg, A. B. Trofimov, E. K. Grigoricheva, A. I. Kuleff, and L. S. Cederbaum
    Two-sided impact of water on the relaxation of inner-valence vacancies of biologically relevant molecules
    J. Phys. Chem. Lett. 14, 1418 (2023)

  9. D. Dey, A. I. Kuleff, and G. A. Worth
    Quantum interference paves the way for long-lived electronic coherences
    Phys. Rev. Lett. 129, 173203 (2022)

  10. H. J. Wörner and A. I. Kuleff
    Observing the effect of nuclear motion on attosecond charge migration
    Nature Phys. 18, 1150 (2022)

  11. D. T. Matselyukh, V. Despré, N. V. Golubev, A. I. Kuleff, and H. J. Wörner
    Decoherence and revival in attosecond charge migration driven by non-adiabatic dynamics
    Nature Phys. 18, 1206 (2022)

  12. V. Despré and A. I. Kuleff
    Correlation-driven charge migration as an initial step of the dynamics in correlation bands
    Phys. Rev. A 106, L021501 (2022)

  13. K. Chordiya, V. Despré, M. U. Kahaly, and A. I. Kuleff
    Distinctive onset of electron correlation in molecular tautomers
    Phys. Rev. A 105, 062808 (2022)

  14. J. Zhou, S. Jia, A. D. Skitnevskaya, E. Wang, T. Hähnel, E. K. Grigoricheva, X. Xue, J.-X. Li, A. I. Kuleff, A. Dorn, and X. Ren
    Concerted double hydrogen-bond breaking by intermolecular Coulombic decay in the formic acid dimer
    J. Phys. Chem. Lett. 13, 4272 (2022)

  15. A. Boyer, M. Hervé, V. Despré, P. Castellanos Nash, V. Loriot, A. Marciniak, A. G. G. M. Tielens, A. I. Kuleff, and F. Lépine
    Ultrafast vibrational relaxation dynamics in XUV-excited polycyclic aromatic hydrocarbon molecules
    Phys. Rev. X 11, 041012 (2021)

  16. N. V. Golubev, J. Vaníček, and A. I. Kuleff
    Core-valence attosecond transient absorption spectroscopy of polyatomic molecules
    Phys. Rev. Lett. 127, 123001 (2021)

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

  18. M. Rebholz, T. Ding, V. Despré, L. Aufleger, M. Hartmann, K. Meyer, V. Stooß, A. Magunia, D. Wachs, P. Birk, Y. Mi, G. D. Borisova, C. da Costa Castanheira, P. Rupprecht, G. Schmid, K. Schnorr, C. D. Schröter, R. Moshammer, Z.-H. Loh, A. R. Attar, S. R. Leone, T. Gaumnitz, H. J. Wörner, S. Roling, M. Butz, H. Zacharias, S. Düsterer, R. Treusch, G. Brenner, J. Vester, A. I. Kuleff, C. Ott, and T. Pfeifer,
    All-XUV pump-probe transient absorption spectroscopy of the structural molecular dynamics of di-iodomethane
    Phys. Rev. X 11, 031001 (2021)

  19. M. Hervé, V. Despré, P. Castellanos Nash, V. Loriot, A. Boyer, A. Scognamiglio, G. Karras, R. Brédy, E. Constant, A. G. G. M. Tielens, A. I. Kuleff, and F. Lépine
    Ultrafast dynamics of correlation bands following XUV molecular photoionization
    Nature Phys. 17, 327 (2021)

  20. H. J. B. Marroux, A. P. Fidler, A. Ghosh, Y. Kobayashi, K. Gokhberg, A. I. Kuleff, S. R. Leone, and D. M. Neumark
    Attosecond spectroscopy reveals alignment dependent core-hole dynamics in the ICl molecule
    Nature Commun. 11, 5810 (2020)

  21. K. Gokhberg, A. I. Kuleff, and L. S. Cederbaum
    Electronic decay cascades in chemical environment
    in R. Marquardt and M. Quack (eds.) Molecular Spectroscopy and Quantum Dynamics, Chapter 5, p. 163 (Elsevier, St. Louis, MO, 2021)

  22. J. B. Mullenix, V. Despré, and A. I. Kuleff
    Electronic decay through non-linear carbon chains
    J. Phys. B 53, 184006 (2020)

  23. A. Niozu, N. Yokono, T. Nishiyama, H. Fukuzawa, T. Sakurazawa, K. Matsuda, T. Takanashi, D. You, Y. Li, T. Ono, T. Gaumnitz, M. Schöffler, S. Grundmann, S. 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
    Electron spectroscopic study of nanoplasma formation triggered by intense soft x-ray pulses
    J. Chem. Phys. 151, 184305 (2019)

  24. V. Despré and A. I. Kuleff
    Size effects in charge migration in alkyne chains
    Theor. Chem. Acc. 138, 110 (2019)

  25. 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
    Tracing charge transfer in argon dimers by XUV-pump IR-probe experiments at FLASH
    J. Chem. Phys. 151, 084314 (2019)

  26. H. Fukuzawa, T. Takanashi, E. Kukk, K. Motomura, S. 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
    Real-time observation of X-ray-induced intramolecular and interatomic electronic decay in CH2I2
    Nature Commun. 10, 2186 (2019)

  27. A. Marciniak, V. Despré, V. Loriot, G. Karras, M. Hervé, L. Quintard, F. Catoire, C. Joblin, E. Constant, A. I. Kuleff, and F. Lépine
    Electron correlation driven non-adiabatic relaxation in molecules excited by an ultrashort extreme ultraviolet pulse
    Nature Commun. 10, 337 (2019)

  28. A. Marciniak, K. Yamazaki, S. Maeda, M. Reduzzi, V. Despré, M. Hervé, M. Meziane, T. A. Niehaus, V. Loriot, A. I. Kuleff, B. Schindler, I. Compagnon, G. Sansone, and F. Lépine
    Ultrafast nonadiabatic cascade and subsequent photofragmentation of extreme ultraviolet excited caffeine molecule
    J. Phys. Chem. Lett. 9, 6927 (2018)

  29. V. Despré, N. V. Golubev, and A. I. Kuleff
    Charge migration in propiolic acid: A full quantum dynamical study
    Phys. Rev. Lett. 121, 203002 (2018)

  30. A. I. Kuleff
    Ultrafast electron dynamics as a route to explore chemical processes
    in M. J. J. Vrakking and F. Lépine (eds.) Attosecond Molecular Dynamics, Chapter 4, p. 103 (Royal Society of Chemistry, London, 2018)

  31. B. Schütte, C. Peltz, D. R. Austin, C. Strüber, P. Ye, A. Rouzée, M. J. J. Vrakking, N. Golubev, A. I. Kuleff, T. Fennel, and J. P. Marangos
    Low-energy electron emission in the strong-feld ionization of rare gas clusters
    Phys. Rev. Lett. 121, 063202 (2018)

  32. 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
    Following the birth of a nanoplasma produced by an ultrashort hard-x-ray laser in xenon clusters
    Phys. Rev. X 8, 031034 (2018)

  33. 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
    Few-femtosecond passage of conical intersections in the benzene cation
    Nature Commun. 8, 1018 (2017)

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

  35. N. V. Golubev, V. Despré, and A. I. Kuleff
    Quantum control with smoothly varying pulses: general theory and application to charge migration
    J. Mod. Optics 64, 1031 (2017)

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

  37. A. I. Kuleff
    Electronic decay through carbon chains
    Chem. Phys. 482, 216 (2017)

  38. T. Ouchi, V. Stumpf, T. Miteva, H. Fukuzawa, K. Sakai, X.-J. Liu, T. Mazza, M. Schöffler, H. Iwayama, K. Nagaya, Y. Tamenori, N. Saito, A. I. Kuleff, K. Gokhberg, and K. Ueda
    Ion pair formation in the NeAr dimer irradiated by monochromatic soft X-rays
    Chem. Phys. 482, 178 (2017)

  39. D. You, H. Fukuzawa, Y. Sakakibara, T. Takanashi, Y. Ito, 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. Gohkberg, A. I. Kuleff, L. S. Cederbaum, and K. Ueda
    Charge transfer to ground-state ions produces free electrons
    Nature Commun. 8, 14277 (2017)

  40. T. Takanashi, N. V. Golubev, C. Callegari, 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, 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
    Time-resolved measurement of interatomic Coulombic decay inducedby two-photon double excitation of Ne2
    Phys. Rev. Lett. 118, 033202 (2017)

  41. 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
    Slow interatomic Coulombic decay of multiply excited neon clusters
    Phys. Rev. Lett. 117, 276806 (2016)

  42. 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
    Interatomic Coulombic decay cascades in multiply excited neon clusters
    Nature Commun. 7, 13477 (2016)

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

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

  45. 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
    Two-photon resonant excitation of interatomic Coulombic decay in neon dimers
    J. Phys. B 48, 204005 (2015)

  46. 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
    XUV excitation followed by ultrafast non-adiabatic relaxation in PAH molecules as a femto-astrochemistry experiment
    Nature Commun. 6, 7909 (2015)

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

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

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

  50. 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
    Detecting ultrafast interatomic electronic processes in media by fluorescence
    New J. Phys. 16, 102002 (2014)

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

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

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

  54. K. Gokhberg, P. Kolorenč, A. I. Kuleff, and L. S. Cederbaum
    Site- and energy-selective slow-electron production through intemolecular Coulombic decay
    Nature, 505, 661 (2014)

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

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

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

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

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

  60. 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
    Three-electron interatomic Coulombic decay from the inner-valence double-vacancy states in NeAr
    Phys. Rev. Lett. 107, 053401 (2011)

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

  62. 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
    Interatomic Coulombic decay following Ne 1s Auger decay in NeAr
    Phys. Rev. A 83, 053415 (2011)

  63. M. Pernpointner, A. I. Kuleff, and L. S. Cederbaum
    Tracing ultrafast electron dynamics by modern propagator approaches
    in P. Comba (ed.) Modeling of Molecular Properties, p. 65 (Wiley-VCH, Weinheim, 2011)

  64. V. Averbukh, Ph. V. Demekhin, P. Kolorenč, S. Scheit, S. D. Stoychev, A. I. Kuleff, Y.-C. Chiang, K. Gokhberg, S. Kopelke, N. Sisourat, and L. S. Cederbaum
    Interatomic Coulombic decay processes in singly and multiply ionized clusters
    J. Electr. Spectr. Rel. Phen. 183, 36 (2011)

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

  66. 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
    Electron-transfer-mediated decay and interatomic Coulombic decay from the triply ionized states in argon dimers
    Phys. Rev. Lett. 106, 033401 (2011)

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

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

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

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

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

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

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

  74. A. I. Kuleff, S. Lünnemann, and L. S. Cederbaum
    Ultrafast charge migration following ionization in oligopeptides
    in P. Corkum, S. De Silvestri, K. Nelson, E. Riedle, and R. W. Schoenlein (eds), Ultrafast Phenomena XVI, p. 586 (Springer Series in Chemical Physics, 2009)

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

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

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

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

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

  80. 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
    Evidence of radiative charge transfer in argon dimers
    Chem. Phys. Lett. 441, 16 (2007)

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

  82. 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
    Evidence of sequential interatomic decay in argon trimers obtained by electron-triple-ion coincidence spectroscopy
    J. Phys. B 40, F1 (2007)

  83. Ya. I. Delchev, A. I. Kuleff, J. Maruani, Tz. Mineva, and F. Zahariev
    Strutinsky's shell-correction method in the extended Kohn-Sham scheme: Application to the ionization potential, electron affinity, electronegativity and chemical hardness of atoms
    Prog. Theor. Chem. & Phys. B 15, 159 (2006)

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

  85. J. Maruani, A. I. Kuleff, D. P. Chong, and C. Bonnelle
    Ansatz for the evaluation of the relativistic contributions to core ionization energies in complex molecules involving heavy atoms
    Int. J. Quantum Chem. 104, 397 (2005)

  86. J. Maruani, A. I. Kuleff, Ya. I. Delchev, and C. Bonnelle
    Shell effects in the relaxation energy of 2s-core ionization of atoms from B through Xe
    Israel J. Chem. 44, 71 (2004)

  87. Ya. I. Delchev, A. I. Kuleff, Tz. Mineva, F. Zahariev, and J. Maruani
    Strutinsky's shell-correction method in the extended Kohn-Sham scheme for the investigation of binding energies of atoms and cations in the ground state
    Int. J. Quantum Chem. 99, 265 (2004)

  88. A. I. Kuleff, J. Maruani, and P. P. Raychev
    Search for isotope effects in ΔJ = 1 staggering patterns of diatomic molecule
    Progr. Theor. Chem. & Phys. B 12, 361 (2003)

  89. J. Maruani, A. I. Kuleff, Ya. I. Delchev, and C. Bonnelle
    Shell effects in the relaxation energy of 1s-core ionization of atoms from He through Xe
    in E. in S. Kryachko and E. J. Brändas (eds), Fundamental Aspects in Quantum Chemistry: A tribute volume to the memory of Per-Olov Löwdin, vol. 1, p. 639 (Kluwer, Dordrecht, 2003)

  90. D. Bonatsos, A. I. Kuleff, J. Maruani, P. P. Raychev, and P. A. Terziev
    Derivation of shell effects and magic numbers in metal clusters by the application of Strutinsky's method to the Clemenger-Nilsson and q-deformed 3-D harmonic oscillator models
    Int. J. Quantum Chem. 89, 377 (2002)

  91. A. I. Kuleff, Ya. I. Delchev, P. Tz. Yotov, Tz. Mineva, and J. Maruani
    Formulation of Strutinsky's method for atomic systems in the extended Kohn-Sham scheme
    Int. J. Quantum Chem. 89, 217 (2002)

  92. Ya. I. Delchev, A. I. Kuleff, P. Tz. Yotov, J. Maruani, and R. L. Pavlov
    Orbital local-scaling transformation approach: fermionic systems in the ground states
    Progr. Theor. Chem. & Phys. B 6, 45 (2001)

  93. R. L. Pavlov, A. I. Kuleff, P. Tz. Yotov, J. Maruani, and Ya. I. Delchev
    Reduced density-matrix treatment of spin-orbit interaction terms in many-electron systems
    Progr. Theor. Chem. & Phys. B 6, 63 (2001)

  94. A. I. Kuleff, J. Maruani, and P. P. Raychev
    Reproduction of the metal-cluster magic numbers using a q-deformed, 3-dimensional, harmonic oscillator model
    Adv. Quantum Chem. 40, 279 (2001)

  95. J. Maruani, A. Khoudir, A. Kuleff, M. Tronc, G. Giorgi, and C. Bonnelle
    A method of combined treatment for evaluation of core excitation energies in molecules involving heavy atoms: Application to CrF6, MoF6, and WF6
    Adv. Quantum Chem. 39, 307 (2001)

  96. R. L. Pavlov, A. I. Kuleff, P. Tz. Yotov, and J. Maruani
    Reduced density-matrix treatment of spin-spin interaction terms in many-electron systems
    Adv. Quantum Chem. 39, 295 (2001)

  97. J. Maruani, S. Drenska, A. Kuleff, P. Raychev, and P. Terziev
    Supershell quantization of staggering patterns in the rotational bands of the iodine molecule
    Phys. Rev. A 62, 022511 (2000)

  98. Ya. I. Delchev, A. I. Kuleff, J. Maruani, and R. L. Pavlov
    A consistent calculation of atomic energy shell corrections Strutinsky's method in the Hartree-Fock-Roothaan scheme
    Adv. Quantum Chem. 31, 53 (1998)

  99. R. L. Pavlov, J. Maruani, Ya. I. Delchev et A. I. Kuleff
    Théorie de la fonctionnelle de la densité avec spin. VIII. Equation d'Euler-Lagrange pour f(r)
    C. R. Acad. Sci. Paris, série IIB, 325, 719 (1997)

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