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Quantum Chemical Approach to Interatomic Decay Rates in Clusters

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Book cover Advances in the Theory of Atomic and Molecular Systems

Part of the book series: Progress in Theoretical Chemistry and Physics ((PTCP,volume 20))

Abstract

Since their theoretical prediction in 1997, interatomic (intermolecular) Coulombic decay (ICD) and related processes have been in the focus of intensive theoretical and experimental research. The spectacular progress in this direction has been stimulated both by the fundamental importance of the discovered electronic decay phenomena and by the exciting possibility of their practical application, for example, in spectroscopy of interfaces. Interatomic decay phenomena take place in inner-shell-ionized clusters due to electronic correlation between two or more cluster constituents. These processes lead to the decay of inner-shell vacancies by electron emission and often also to the disintegration of the resulting multiple ionized cluster. The primary objective of the theory is, thus, to predict the kinetic energy spectra of the emitted electrons and of the cluster fragments. These spectra are determined by an interplay between the electronic decay process and the nucleardynamics. Key to the reliable prediction of the observable quantities is the knowledge of the time scale of the interatomic decay. Here we review the recent progress in the development of ab initio quantum chemical methods for the calculation of interatomic decay rates in excited, singly ionized, and doubly ionized systems as well as some of their applications, e.g.,~to rare gas systems and to endohedral fullerenes.

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References

  1. P. Auger, J. de Phys. 6, 205 (1925)

    CAS  Google Scholar 

  2. E.H.S. Burhop, W.N. Asaad, Adv. At. Mol. Phys. 8, 163 (1972); W. Mehlhorn, Atomic Inner-Shell Physics, ed. by B. Crasemann (Plenum, New York, 1985)

    Google Scholar 

  3. N.H. Turner, J.A. Schreifels, Anal. Chem. 72, 99R (2000)

    Google Scholar 

  4. C.D. Wagner, A. Joshi, J. Elec. Spectr. Rel. Phen. 47, 283 (1988)

    Article  CAS  Google Scholar 

  5. L.S. Cederbaum, J. Zobeley, F. Tarantelli, Phys. Rev. Lett. 79, 4778 (1997)

    Article  CAS  Google Scholar 

  6. R. Santra, J. Zobeley, L.S. Cederbaum, N. Moiseyev, Phys. Rev. Lett. 85, 4490 (2000)

    Article  CAS  Google Scholar 

  7. M.S. Deleuze, J.-P. Francois, E.S. Kryachko, J. Am. Chem. Soc. 127, 16824 (2005)

    Article  CAS  Google Scholar 

  8. S. Marburger, O. Kugeler, U. Hergenhahn, T. Möller, Phys. Rev. Lett. 90, 203401 (2003)

    Article  CAS  Google Scholar 

  9. T. Jahnke, A. Czasch, M.S. Schöffler, S. Schössler, A. Knapp, M. Käsz, J. Titze, C. Wimmer, K. Kreidi, R.E. Grisenti, A. Staudte, O. Jagutzki, U. Hergenhahn, H. Schmidt-Böcking, R. Dörner, Phys. Rev. Lett. 93, 163401 (2004)

    Article  CAS  Google Scholar 

  10. R. Dörner, V. Mergel, O. Jagutzki, L. Spielberger, J. Ullrich, R. Moshammer, H. Schmidt-Böcking, Physics Reports 330, 95 (2000)

    Article  Google Scholar 

  11. S. Scheit, V. Averbukh, H.-D. Meyer, N. Moiseyev, R. Santra, T. Sommerfeld, J. Zobeley, L. S. Cederbaum, J. Chem. Phys. 121, 8393 (2004)

    Google Scholar 

  12. G. Öhrwall, M. Tchaplygine, M. Lundwall, R. Feifel, H. Bergersen, T. Rander, A. Lindblad, J. Schulz, S. Peredkov, S. Barth, S. Marburger, U. Hergenhahn, S. Svensson, O. Björneholm, Phys. Rev. Lett. 93, 173401 (2004)

    Article  Google Scholar 

  13. R. Santra, J. Zobeley, L.S. Cederbaum, Phys. Rev. B 64, 245104 (2001)

    Article  Google Scholar 

  14. N. Vaval, L.S. Cederbaum, J. Chem. Phys. 126, 164110 (2007)

    Article  Google Scholar 

  15. I.B. Müller, L.S. Cederbaum, J. Chem. Phys. 122, 094305 (2005)

    Article  Google Scholar 

  16. V. Averbukh, L.S. Cederbaum, Phys. Rev. Lett. 96, 053401 (2006)

    Article  Google Scholar 

  17. S. Barth, S. Marburger, S. Joshi, V. Ulrich, O. Kugeler, U. Hergenhahn, PCCP 8, 3218 (2006)

    Google Scholar 

  18. S. Barth, S. Joshi, S. Marburger, V. Ulrich, A. Lindblad, G. Öhrwall, O. Björneholm, U. Hergenhahn, J. Chem. Phys. 122, 241102 (2005)

    Article  CAS  Google Scholar 

  19. T. Aoto, K. Ito, Y. Hikosaka, F. Penent, P. Lablanquie, Phys. Rev. Lett. 97, 243401 (2006)

    Article  CAS  Google Scholar 

  20. W. Eberhardt, G. Kalkoffen, C. Kunz, Phys. Rev. Lett. 41, 156 (1978); G.C. Brown, M.H. Chen, B. Crasemann, G.E. Ice, Phys. Rev. Lett. 45, 1937 (1980)

    Google Scholar 

  21. F. Gel’mukhanov, H. Ågren, Phys. Rep. 312, 87 (1999)

    Article  Google Scholar 

  22. K. Gokhberg, V. Averbukh, L.S. Cederbaum, J. Chem. Phys. 124, 144315 (2006)

    Article  Google Scholar 

  23. R. Santra, L.S. Cederbaum, Phys. Rev. Lett. 90, 153401 (2003)

    Article  Google Scholar 

  24. S. D. Stoychev, A.I. Kuleff, F. Tarantelli, L.S. Cederbaum, J. Chem. Phys. 129, 074307 (2008)

    Article  Google Scholar 

  25. Y. Morishita, X.-J. Liu, N. Saito, T. Lischke, M. Kato, G. Prömper, M. Oura, H. Yamaoka, Y. Tamenori, I.H. Suzuki, K. Ueda, Phys. Rev. Lett. 96, 243402 (2006)

    Article  CAS  Google Scholar 

  26. S.D. Stoychev, A.I. Kuleff, F. Tarantelli, L.S. Cederbaum, J. Chem. Phys. 128, 014307 (2008)

    Article  Google Scholar 

  27. K. Kreidi, T Jahnke, Th. Weber, T. Havermeier, R.E. Grisenti, X. Liu, Y. Morisita, S. Schössler, L.Ph.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. Prömper, N. Saito, K. Ueda, A. Czasch, O. Jagutzki, H. Schmidt-Böcking, S.K. Semenov, N.A. Cherepkov, R. Dörner, J. Phys. B 41, 101002 (2008)

    Article  Google Scholar 

  28. K. Kreidi, T. Jahnke, Th. Weber, T. Havermeier, X. Liu, Y. Morisita, S. Schössler, L.Ph.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. Prömper, N. Saito, K. Ueda, A. Czasch, O. Jagutzki, H. Schmidt-Böcking, S. Stoychev, Ph. V. Demekhin, R. Dörner, Phys. Rev. A 78, 043422 (2008)

    Article  Google Scholar 

  29. M. Yamazaki, J. Adachi, Y. Kimura, A. Yagishita, M. Stener, P. Decleva, N. Kosugi, H. Iwayama, K. Nagaya, M. Yao, Phys. Rev. Lett. 101, 043004 (2008)

    Article  Google Scholar 

  30. K. Ueda, private communication.

    Google Scholar 

  31. L.S. Cederbaum, F. Tarantelli, J. Chem. Phys. 98, 9691 (1993)

    Article  CAS  Google Scholar 

  32. S. Scheit, L.S. Cederbaum, H.-D. Meyer, J. Chem. Phys. 118, 2092 (2003)

    Article  CAS  Google Scholar 

  33. S. Scheit, V. Averbukh, H.-D. Meyer, J. Zobeley, L.S. Cederbaum, J. Chem. Phys. 124, 154305 (2006)

    Article  Google Scholar 

  34. U.V. Riss, H.-D. Meyer, J. Phys. B 26, 4593 (1993)

    Article  Google Scholar 

  35. J.G. Muga, J.P. Palao, B. Navarro, I.L. Egusquiza, Phys. Rep. 395, 357 (2004)

    Article  CAS  Google Scholar 

  36. R. Santra, L.S. Cederbaum, H.-D. Meyer, Chem. Phys. Lett. 303, 413 (1999)

    Article  CAS  Google Scholar 

  37. N. Moiseyev, J. Phys. B 31, 1431 (1998); U.V. Riss, H.-D. Meyer, J. Phys. B 31, 2279 (1998)

    Google Scholar 

  38. J. Schirmer, L.S. Cederbaum, O. Walter, Phys. Rev. A 28, 1237 (1983); L.S. Cederbaum, in Encyclopedia of Computational Chemistry, eds. by P.v.R. Schleyer, P.R. Schreiner, N.A. Allinger, T. Clark, J. Gasteiger, P. Kollman, H.F. Schaefer III (Wiley, New York, 1998)

    Google Scholar 

  39. J. Schirmer, Phys. Rev. A 43, 4647 (1991); F. Mertins, J. Schirmer, Phys. Rev. A 53, 2140 (1996); A. B. Trofimov, J. Schirmer, J. Chem. Phys. 123, 144115 (2005) J. Schirmer andF. Mertins, Int. J. Quant. Chem. 58, 329 (1996).

    Google Scholar 

  40. R. Santra, L.S. Cederbaum, Phys. Rep. 368, 1 (2002)

    Article  CAS  Google Scholar 

  41. A.B. Trofimov, J. Schirmer, J. Chem. Phys. 123, 144115 (2005)

    Article  CAS  Google Scholar 

  42. I.B. Möller, Ph.D. thesis, Universität Heidelberg, 2006, in German

    Google Scholar 

  43. H. Hennig, Diploma thesis, Universität Heidelberg, 2004, in German

    Google Scholar 

  44. V. Averbukh, L.S. Cederbaum, J. Chem. Phys. 123, 204107 (2005)

    Article  Google Scholar 

  45. U. Fano, Phys. Rev. 124, 1866 (1961)

    Article  CAS  Google Scholar 

  46. P.W. Langhoff, in Electron-Molecule and Photon-Molecule Collisions, eds. by T. Rescigno, V. McKoy, B. Schneider (Plenum, New York, 1979); A. U. Hazi, ibid.

    Google Scholar 

  47. G. Howat, T. Åberg, O. Goscinski, J. Phys. B 11, 1575 (1978)

    Article  CAS  Google Scholar 

  48. T. Åberg, G. Howat, in Handbuch der Physik, Vol 31, ed. by W. Mehlhorn (Springer, Berlin, 1982)

    Google Scholar 

  49. A. Szabo, A.S. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory (Dover, New York, 1996)

    Google Scholar 

  50. J. Schirmer, A.B. Trofimov, G. Stelter, J. Chem. Phys. 109, 4734 (1998)

    Article  CAS  Google Scholar 

  51. E. Davidson, J. Comp. Phys. 17, 87 (1975)

    Google Scholar 

  52. V. Averbukh, L.S. Cederbaum, J. Chem. Phys. 125, 094107 (2006)

    Article  Google Scholar 

  53. F. Möller-Plathe, G.H.F. Diercksen, in Electronic Structure of Atoms, Molecules and Solids, eds. by S. Canuto, J. D’Albuquerque e Castro, F.J. Paixão (World Scientific, Singapore, 1990); F. Möller-Plathe, G.H.F. Diercksen, Phys. Rev. A 40, 696 (1989)

    Google Scholar 

  54. I. Cacelli, V. Caravetta, R. Moccia, Mol. Phys. 59, 385 (1986)

    Article  CAS  Google Scholar 

  55. R.K. Nesbet, Phys. Rev. A 14, 1065 (1976)

    Article  CAS  Google Scholar 

  56. K. Gokhberg, V. Visotskiy, L.S. Cederbaum, V. Averbukh, J. Chem. Phys. 130, 064104 (2009)

    Article  CAS  Google Scholar 

  57. B.N. Parlett, The Symmetric Eigenvalue Problem (Prentice-Hall, Englewood Cliffs, 1980)

    Google Scholar 

  58. J.A.D. Matthew, Y. Komninos, Surf. Sci. 63, 716 (1975)

    Article  Google Scholar 

  59. T.D. Thomas, C. Miron, K. Wiesner, P. Morin, T.X. Carroll, L.J. Sæthre, Phys. Rev. Lett. 89, 223001 (2002)

    Article  CAS  Google Scholar 

  60. D.C. Griffin, D.M. Mitnick, N.R. Randell, J. Phys. B 34, 4401 (2001)

    Article  CAS  Google Scholar 

  61. V. Averbukh, I.B. Möller, L.S. Cederbaum, Phys. Rev. Lett. 93, 263002 (2004)

    Article  Google Scholar 

  62. T.A. Carlson, M.O. Krause, Phys. Rev. Lett. 14, 390 (1965); Phys. Rev. Lett. 17, 1079 (1966)

    Article  CAS  Google Scholar 

  63. Y. Morishita, N. Saito, I.H. Suzuki, H. Fukuzawa, X.-J. Liu, K. Sakai, G. Prömper, K. Ueda, H. Iwayama, K. Nagaya, M. Yao, K. Kreidi, M. Schöffler, T. Jahnke, S. Schössler, R. Dörner, T. Weber, J. Harries, Y. Tamenori, J. Phys. B 41, 025101 (2008)

    Article  Google Scholar 

  64. P. Kolorenč, V. Averbukh, K. Gokhberg, L.S. Cederbaum, J. Chem. Phys. 129, 244102 (2008)

    Article  Google Scholar 

  65. J. Schirmer, A. Barth, Z. Phys. A 317, 267 (1984)

    Google Scholar 

  66. J. Schirmer, F. Mertins, J. Phys. B 29, 3559 (1996)

    Article  CAS  Google Scholar 

  67. J. Schirmer, A. Trofimov, J. Chem. Phys. 120, 11449 (2004)

    Article  CAS  Google Scholar 

  68. K. Gokhberg, V. Averbukh, L.S. Cederbaum, J. Chem. Phys. 126, 154107 (2007)

    Article  CAS  Google Scholar 

  69. K. Codling, R. Madden, D. Ederer, Phys. Rev. 155, 26 (1967)

    Article  CAS  Google Scholar 

  70. M. Stener, P. Decleva, A. Lisini, J. Phys. B 28, 4973 (1995)

    Article  CAS  Google Scholar 

  71. K. Schulz, M. Domke, R. Pöttner, A. Gutierrez, G. Kaindl, G. Miecznik, C. Greene, Phys. Rev. A 54, 3095 (1996)

    Article  CAS  Google Scholar 

  72. S. Sorensen, T. Åberg, J. Tulkki, E. Rachlew-Kälne, G. Sundström, M. Kirm, Phys. Rev. A 50, 1218 (1994)

    Article  CAS  Google Scholar 

  73. D.L. Ederer, Phys. Rev. A 4, 2263 (1971)

    Article  Google Scholar 

  74. U. Hergenhahn, private communication.

    Google Scholar 

  75. T. Jahnke, R. Dörner, private communication.

    Google Scholar 

  76. E.F. Aziz, N. Ottoson, M. Faubel, I.V. Hertel, B. Winter, Nature 455, 89 (2008)

    Article  CAS  Google Scholar 

  77. M. Hentschel, R. Kienberger, Ch. Spielmann, G. A. Reider, N. Milosevic, T. Brabec, P. Corkum, U. Heinzmann, M. Drescher, F. Krausz, Nature 414, 509 (2001); G. Sansone, E. Benedetti, F. Calegari, C. Vozzi, L. Avaldi, R. Flammini, L. Poletto, P. Villoresi, C. Altucci, R. Velotta, S. Stagira, S. De Silvestri, M. Nisoli, Science 314, 443 (2006)

    Google Scholar 

  78. M.A. Kornberg, A.L. Godunov, S. Itza-Ortiz, D.L. Ederer, J.H. McGuire, L. Young, J. Synchrotron Rad. 9, 298 (2002)

    Article  CAS  Google Scholar 

  79. M. Drescher, M. Hentschel, R. Kienberger, M. Uiberacker, V. Yakovlev, A. Scrinzi, Th. Westerwalbesloh, U. Kleineberg, U. Heinzmann, F. Krausz, Nature 419, 803 (2002)

    Article  CAS  Google Scholar 

  80. A.I. Kuleff, L.S. Cederbaum, Phys. Rev. Lett. 98, 083201 (2007)

    Article  Google Scholar 

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Authors and Affiliations

  1. Max Planck Institute for the Physics of Complex Systems, Nöthnitzer Str. 38, D-01187, Dresden, Germany

    V. Averbukh

  2. Institute of Theoretical Physics, Faculty of Mathematics and Physics, Charles University in Prague, V Holešovičkách 2, 180 00, Prague, Czech Republic

    P. Kolorenč

  3. Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120, Heidelberg, Germany

    K. Gokhberg & L.S. Cederbaum

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  1. V. Averbukh
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  2. P. Kolorenč
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  3. K. Gokhberg
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  4. L.S. Cederbaum
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Editors and Affiliations

  1. Department of Chemistry, Michigan State University, 48824, East Lansing, MI, USA

    Piotr Piecuch

  2. Laboratoire de Chimie Physique, CNRS and UPMC, 11 rue Pierre et Marie Curie, 75005, Paris, France

    Jean Maruani

  3. Instituto de Física Fundamental CSIC, Serrano, 123, E-28006, Madrid, Spain

    Gerardo Delgado-Barrio

  4. Physical & Theoretical Chemistry Laboratory, University of Oxford, South Parks Rd, OX1 3QZ, Oxford, United Kingdom

    Stephen Wilson

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Averbukh, V., Kolorenč, P., Gokhberg, K., Cederbaum, L. (2009). Quantum Chemical Approach to Interatomic Decay Rates in Clusters. In: Piecuch, P., Maruani, J., Delgado-Barrio, G., Wilson, S. (eds) Advances in the Theory of Atomic and Molecular Systems. Progress in Theoretical Chemistry and Physics, vol 20. Springer, Dordrecht. https://doi.org/10.1007/978-90-481-2985-0_8

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