Interatomic Coulombic decay and its dynamics in NeAr following K-LL Auger transition in the Ne atom

Journal of Chemical Physics

Volumn 131, Issue 10, 2009, Pages

  Demekhin, Ph V ^a   Chiang, Y C ^b   Stoychev, S D ^b   Kolorenc P ^c   Scheit, S ^d   Kuleff, A I ^b,f   Tarantelli, F ^e   Cederbaum, L S ^b  

^a UNIVERSITY OF KASSEL   (Germany)

^b UNIVERSITY OF HEIDELBERG   (Germany)

^c CHARLES UNIVERSITY   (Czech Republic)

^d UNIVERSITY OF TOKYO   (Japan)

^e UNIVERSITY OF PERUGIA   (Italy)

^f INSTITUTE FOR NUCLEAR RESEARCH AND NUCLEAR ENERGY   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; AUGER DECAYS; AUGER TRANSITIONS; BASIS SETS; ELECTRON SPECTRUM; ELECTRONIC DECAY; INTERATOMIC COULOMBIC DECAY; IONIZED STATE; NUCLEAR DYNAMICS; POTENTIAL ENERGY CURVES; TIME-DEPENDENT THEORY; TRANSITION RATES; WAVE PACKET PROPAGATION;

ARGON; AUGERS; POTENTIAL ENERGY;

NEON;

EID: 70349284719     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3211114     Document Type: Article

References (46)

1. L. S. Cederbaum, J. Zobeley, and F. Tarantelli, Phys. Rev. Lett. 0031-9007 79, 4778 (1997). 10.1103/PhysRevLett.79.4778
2. Interatomic (Intermolecular) Coulombic Decay and Related Phenomena (Theoretical Chemistry Group, Institute of Physical Chemistry, University of Heidelberg, Germany, 2009), http://www.pci.uni-heidelberg.de/tc/usr/icd/ICD. refbase.html.
3. R. Santra, J. Zobeley, and L. S. Cederbaum, Phys. Rev. B 0163-1829 64, 245104 (2001). 10.1103/PhysRevB.64.245104
4. J. J. Sakurai, Modern Quantum Mechanics (Addison-Wesley, Reading, MA, 1994).
5. V. Averbukh, I. B. Müller, and L. S. Cederbaum, Phys. Rev. Lett. 0031-9007 93, 263002 (2004). 10.1103/PhysRevLett.93.263002 (Pubitemid 40213722)
6. J. Zobeley, R. Santra, and L. S. Cederbaum, J. Chem. Phys. 0021-9606 115, 5076 (2001). 10.1063/1.1395555 (Pubitemid 32973055)
7. T. Jahnke, A. Czasch, M. S. Schöffler, S. Schössler, M. Käsz, J. Titze, K. Kreidi, R. E. Grisenti, A. Staudte, O. Jagutzki, L. Ph. H. Schmidt, Th. Weber, H. Schmidt-Böcking, K. Ueda, and R. Dörner, Phys. Rev. Lett. 0031-9007 99, 153401 (2007). 10.1103/PhysRevLett.99.153401 (Pubitemid 47569118)
8. S. D. Stoychev, A. I. Kuleff, F. Tarantelli, and L. S. Cederbaum, J. Chem. Phys. 0021-9606 129, 074307 (2008). 10.1063/1.2960593
9. R. Santra and L. S. Cederbaum, Phys. Rev. Lett. 0031-9007 90, 153401 (2003). 10.1103/PhysRevLett.90.153401
10. Y. Morishita, X. -J. Liu, N. Saito, T. Lischke, M. Kato, G. Prümper, M. Oura, H. Yamaoka, Y. Tamenori, I. H. Suzuki, and K. Ueda, Phys. Rev. Lett. 0031-9007 96, 243402 (2006). 10.1103/PhysRevLett.96.243402 (Pubitemid 43941611)
11. 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 0953-4075 40, F1 (2007). 10.1088/0953-4075/40/1/F01 (Pubitemid 46304627)
12. Y. Morishita, N. Saito, I. H. Suzuki, H. Fukuzawa, X. -J. Liu, K. Sakai, G. Prümper, K. Ueda, H. Iwayama, K. Nagaya, M. Yao, K. Kreidi, M. S. Schöffler, T. Jahnke, S. Schössler, R. Dörner, T. Weber, J. Harries, and Y. Tamenori, J. Phys. B 0953-4075 41, 025101 (2008). 10.1088/0953-4075/41/2/025101
13. K. Kreidi, T. Jahnke, T. Weber, T. Havermeier, R. E. Grisenti, X. Liu, Y. M. 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. Ueda, A. Czasch, O. Jagutzki, H. Schmidt-Böcking, S. K. Semenov, N. A. Cherepkov, and R. Dörner, J. Phys. B 0953-4075 41, 101002 (2008). 10.1088/0953-4075/41/10/101002 (Pubitemid 351763355)
14. K. Kreidi, T. Jahnke, T. Weber, T. Havermeier, R. E. Grisenti, X. Liu, Y. Morisita, Y. M. 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. Ueda, A. Czasch, O. Jagutzki, H. Schmidt- Böcking, S. Stoychev, Ph. V. Demekhin, and R. Dörner, Phys. Rev. A 1050-2947 78, 043422 (2008). 10.1103/PhysRevA.78.043422
15. M. Yamazaki, J. Adachi, Y. Kimura, A. Yagishita, M. Stener, P. Decleva, N. Kosugi, H. Iwayama, K. Nagaya, and M. Yao, Phys. Rev. Lett. 0031-9007 101, 043004 (2008). 10.1103/PhysRevLett.101.043004
16. S. D. Stoychev, A. I. Kuleff, F. Tarantelli, and L. S. Cederbaum, J. Chem. Phys. 0021-9606 128, 014307 (2008). 10.1063/1.2814241
17. Ph. V. Demekhin, S. Scheit, S. D. Stoychev, and L. S. Cederbaum, Phys. Rev. A 1050-2947 78, 043421 (2008). 10.1103/PhysRevA.78.043421
18. J. -U. Grabow, A. S. Pine, G. T. Fraser, F. J. Lovas, R. D. Suenram, T. Emilsson, E. Arunan, and H. S. Gutowsky, J. Chem. Phys. 0021-9606 102, 1181 (1995). 10.1063/1.468904
19. NIST Atomic Spectra Database (National Institute of Standards and Technology, Gaithersburg, MD, 2008), http://physics.nist.gov/PhysRefData/ASD/ index.html.
20. All basis sets used in this work were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 02/02/06, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington 99352, USA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. (Contact Karen Schuchardt for further information, http://www.emsl.pnl.gov/forms/basisform. html).
21. MOLPRO, version 2006.1, a package of ab initio programs, H. -J. Werner, P. J. Knowles, R. Lindh, see http://www.molpro.net.
22. J. Schirmer, Phys. Rev. A 1050-2947 26, 2395 (1982). 10.1103/PhysRevA.26. 2395
23. J. Schirmer, L. S. Cederbaum, and O. Walter, Phys. Rev. A 1050-2947 28, 1237 (1983). 10.1103/PhysRevA.28.1237
24. L. S. Cederbaum, in Encyclopedia of Computational Chemistry, edited by, P. V. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollmann, H. F. Schaefer, and, P. R. Schreiner, (Wiley, New York, 1998), p. 1202.
25. G. Angonoa, O. Walter, and J. Schirmer, J. Chem. Phys. 0021-9606 87, 6789 (1987). 10.1063/1.453424
26. J. Schirmer and A. Barth, Z. Phys. A 0340-2193 317, 267 (1984). 10.1007/BF01438358
27. F. Tarantelli, Chem. Phys. 0301-0104 329, 11 (2006). 10.1016/j.chemphys. 2006.07.001
28. F. Tarantelli and L. S. Cederbaum, Phys. Rev. A 1050-2947 46, 81 (1992). 10.1103/PhysRevA.46.81
29. L. J. Saethre, T. D. Thomas, and L. Ungier, J. Electron Spectrosc. Relat. Phenom. 0368-2048 33, 381 (1984). 10.1016/0368-2048(84)80033-X
30. P. Kolorenč, V. Averbukh, K. Gokhberg, and L. S. Cederbaum, J. Chem. Phys. 0021-9606 129, 244102 (2008). 10.1063/1.3043437
31. U. Fano, Phys. Rev. 0096-8250 124, 1866 (1961). 10.1103/PhysRev.124.1866
32. G. Howat, T. Aberg, and O. Goshinski, J. Phys. B 0953-4075 11, 1575 (1978). 10.1088/0022-3700/11/9/011
33. P. W. Langhoff, in Electron-Molecule and Photon-Molecule Collisions, edited by, T. Rescigno, V. McKoy, and, B. Schenider, (Plenum, New York, 1979).
34. A. U. Hazi, in Electron-Molecule and Photon-Molecule Collisions, edited by, T. Rescigno, V. McKoy, and, B. Schenider, (Plenum, New York, 1979).
35. L. S. Cederbaum and F. Tarantelli, J. Chem. Phys. 0021-9606 98, 9691 (1993). 10.1063/1.464348
36. L. S. Cederbaum and F. Tarantelli, J. Chem. Phys. 0021-9606 99, 5871 (1993). 10.1063/1.465940
37. E. Pahl, L. S. Cederbaum, and F. Tarantelli, Phys. Rev. A 1050-2947 60, 1070 (1999). 10.1103/PhysRevA.60.1070
38. E. Pahl, J. Brand, L. S. Cederbaum, and F. Tarantelli, Phys. Rev. A 1050-2947 60, 1079 (1999). 10.1103/PhysRevA.60.1079
39. S. Scheit, L. S. Cederbaum, and H. -D. Meyer, J. Chem. Phys. 0021-9606 118, 2092 (2003). 10.1063/1.1531996
40. S. Scheit, V. Averbukh, H. -D. Meyer, N. Moiseyev, R. S. T. Sommerfeld, J. Zobeley, and L. S. Cederbaum, J. Chem. Phys. 0021-9606 121, 8393 (2004). 10.1063/1.1794654
41. S. Scheit, Nuclear dynamics in the decay of excited electronic states: theory including cascades and multimechanism decays and applications to the Interatomic Coulombic Decay (Ruprecht-Karls-Universität Heidelberg, Ph.D thesis, 2007).
42. L. S. Cederbaum and W. Domcke, J. Phys. B 0953-4075 14, 4665 (1981). 10.1088/0022-3700/14/23/025
43. W. Domcke, Phys. Rep. 0370-1573 208, 97 (1991). 10.1016/0370-1573(91) 90125-6
44. M. Coreno, L. Avaldi, R. Camilloni, K. C. Prince, M. de Simone, J. Karvonen, R. Colle, and S. Simonucci, Phys. Rev. A 1050-2947 59, 2494 (1999). 10.1103/PhysRevA.59.2494
45. A. Inoyatov, D. V. Filosofov, V. M. Gorozhankin, A. Kovalik, N. A. Lebedev, A. V. Lubashevskiy, A. F. Novgorodov, L. L. Perevoshchikov, T. Vylov, and E. A. Yakushev, J. Electron Spectrosc. Relat. Phenom. 0368-2048 154, 79 (2007). 10.1016/j.elspec.2006.12.023 (Pubitemid 46274099)
46. G. Herzberg, Molecular Spectra and Molecular Structure: I. Spectra of Diatomic Molecules, 2nd ed. (Van Nostrand Reinhold Company, Cincinnati, 1950).