Ab initio lifetimes in the interatomic Coulombic decay of neon clusters computed with propagators

Journal of Chemical Physics

Volumn 126, Issue 16, 2007, Pages

  Vaval, Nayana ^a,b   Cederbaum, Lorenz S ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

^b NATIONAL CHEMICAL LABORATORY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRON EMISSION; ELECTROSTATICS; GREEN'S FUNCTION; IONIZATION; VALENCE BANDS;

DECAYING STATES; INTERATOMIC COULOMBIC DECAY (ICD); RESONANCE STATES;

NEON;

EID: 34247623154     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2723117     Document Type: Article

References (56)

1. P. Auger, J. Phys. Radium 6, 205 (1925).
2. L. S. Cederbaum, J. Zobeley, and F. Tarantelli, Phys. Rev. Lett. 79, 4778 (1997).
3. R. Santra and L. S. Cederbaum, J. Chem. Phys. 0021-9606 10.1063/1.1405117 115, 6853 (2001); N. Moiseyev, R. Santra, J. Zobeley, and L. S. Cederbaum, J. Chem. Phys. 114, 7351 (2001).
4. R. Santra and L. S. Cederbaum, J. Chem. Phys. 0021-9606 10.1063/1.1405117 115, 6853 (2001); N. Moiseyev, R. Santra, J. Zobeley, and L. S. Cederbaum, J. Chem. Phys. 114, 7351 (2001).
5. R. Santra, J. Zobeley, L. Cederbaum, and N. Moiseyev, Phys. Rev. Lett. 85, 4490 (2000).
6. J. Zobeley, L. Cederbaum, and F. Tarantelli, J. Phys. Chem. A 103, 11145 (1999).
7. R. Santra and L. Cederbaum, Phys. Rep. 0370-1573 10.1016/S0370-1573(02) 00143-6 368, 1 (2002); R. Santra, J. Zobeley, and L. Cederbaum, Phys. Rev. B 64, 245104 (2001).
8. R. Santra and L. Cederbaum, Phys. Rep. 0370-1573 10.1016/S0370-1573(02) 00143-6 368, 1 (2002); R. Santra, J. Zobeley, and L. Cederbaum, Phys. Rev. B 64, 245104 (2001).
9. S. Merburger, O. Kugeler, U. Hergenhahn, and T. Möller, Phys. Rev. Lett. 90, 203401 (2003).
10. S. Merburger, O. Kugeler, and U. Hergenhahn, BESSY-highlights 2003 can be found at www.bessy.de/publicRelations/files/Highlights2003.pdf
11. T. Jahnke, A. Czasch, M. S. Schössler, Phys. Rev. Lett. 93, 163401 (2004).
12. G. Öhrwall, M. Tehaplyguine, M. Lundwall, Phys. Rev. Lett. 93, 173401 (2004).
13. S. Barth, S. Joshi, S. Marburger, V. Ulrich, A. Lindblas, G. Öhrwall, O. Björneholm, and U. Hergenhahn, J. Chem. Phys. 122, 241102 (2005).
14. S. Barth, S. Marburger, V. Ulrich, O. Kugeler, and U. Hergenhahn, Phys. Chem. Chem. Phys. 8, 3218 (2006).
15. S. Scheit, H. D. Meyer, and L. S. Cederbaum, J. Phys.: Conf. Ser. 1742-6588 4, 277 (2005); S. Scheit, L. S. Cederbaum, and H. D. Meyer, J. Chem. Phys. 0021-9606 118, 2029 (2003); S. Scheit, V. Averbukh, H. D. Meyer, N. Moiseyev, R. Santra, T. Sommerfeld, J. Zobeley, and L. S. Cederbaum, J. Chem. Phys. 0021-9606 10.1063/1.1794654 121, 8393 (2004); S. Scheit, V. Averbukh, H. D. Meyer, J. Zobeley, and L. S. Cederbaum, J. Chem. Phys. 124, 154305 (2004).
16. S. Scheit, H. D. Meyer, and L. S. Cederbaum, J. Phys.: Conf. Ser. 1742-6588 4, 277 (2005); S. Scheit, L. S. Cederbaum, and H. D. Meyer, J. Chem. Phys. 0021-9606 118, 2029 (2003); S. Scheit, V. Averbukh, H. D. Meyer, N. Moiseyev, R. Santra, T. Sommerfeld, J. Zobeley, and L. S. Cederbaum, J. Chem. Phys. 0021-9606 10.1063/1.1794654 121, 8393 (2004); S. Scheit, V. Averbukh, H. D. Meyer, J. Zobeley, and L. S. Cederbaum, J. Chem. Phys. 124, 154305 (2004).
17. S. Scheit, H. D. Meyer, and L. S. Cederbaum, J. Phys.: Conf. Ser. 1742-6588 4, 277 (2005); S. Scheit, L. S. Cederbaum, and H. D. Meyer, J. Chem. Phys. 0021-9606 118, 2029 (2003); S. Scheit, V. Averbukh, H. D. Meyer, N. Moiseyev, R. Santra, T. Sommerfeld, J. Zobeley, and L. S. Cederbaum, J. Chem. Phys. 0021-9606 10.1063/1.1794654 121, 8393 (2004); S. Scheit, V. Averbukh, H. D. Meyer, J. Zobeley, and L. S. Cederbaum, J. Chem. Phys. 124, 154305 (2004).
18. S. Scheit, H. D. Meyer, and L. S. Cederbaum, J. Phys.: Conf. Ser. 1742-6588 4, 277 (2005); S. Scheit, L. S. Cederbaum, and H. D. Meyer, J. Chem. Phys. 0021-9606 118, 2029 (2003); S. Scheit, V. Averbukh, H. D. Meyer, N. Moiseyev, R. Santra, T. Sommerfeld, J. Zobeley, and L. S. Cederbaum, J. Chem. Phys. 0021-9606 10.1063/1.1794654 121, 8393 (2004); S. Scheit, V. Averbukh, H. D. Meyer, J. Zobeley, and L. S. Cederbaum, J. Chem. Phys. 124, 154305 (2004).
19. L. S. Cederbaum and W. Domcke, Adv. Chem. Phys. 36, 205 (1977); L. S. Cederbaum, in Encyclopedia of Computational Chemistry, edited by, P. V. R. Schleyer, P. R. Schreiner, N. L. Allinger, T. Clark, J. Gasteiger, P. Kollman, and, H. F. Schaefer III, (Wiley, New York, 1998).
20. L. S. Cederbaum and W. Domcke, Adv. Chem. Phys. 36, 205 (1977); L. S. Cederbaum, in Encyclopedia of Computational Chemistry, edited by, P. V. R. Schleyer, P. R. Schreiner, N. L. Allinger, T. Clark, J. Gasteiger, P. Kollman, and, H. F. Schaefer III, (Wiley, New York, 1998).
21. A. B. Trofimov, G. Steller, and J. Schirmer, J. Chem. Phys. 0021-9606 10.1063/1.480352 111, 9982 (1999); A. B. Trofimov, G. Steller, and J. Schirmer, J. Chem. Phys. 0021-9606 10.1063/1.1504708 117, 6402 (2002); J. Schirmer, Phys. Rev. A 43, 4647 (1991).
22. A. B. Trofimov, G. Steller, and J. Schirmer, J. Chem. Phys. 0021-9606 10.1063/1.480352 111, 9982 (1999); A. B. Trofimov, G. Steller, and J. Schirmer, J. Chem. Phys. 0021-9606 10.1063/1.1504708 117, 6402 (2002); J. Schirmer, Phys. Rev. A 43, 4647 (1991).
23. A. B. Trofimov, G. Steller, and J. Schirmer, J. Chem. Phys. 0021-9606 10.1063/1.480352 111, 9982 (1999); A. B. Trofimov, G. Steller, and J. Schirmer, J. Chem. Phys. 0021-9606 10.1063/1.1504708 117, 6402 (2002); J. Schirmer, Phys. Rev. A 43, 4647 (1991).
24. J. Schirmer, A. B. Trofimov, and G. Stelter, J. Chem. Phys. 109, 4734 (1998).
25. U. V. Riss and H. D. Meyer, J. Phys. B 26, 4563 (1993).
26. R. Santra, L. S. Cederbaum, and H. D. Meyer, Chem. Phys. Lett. 303, 413 (1999).
27. R. Santra and L. S. Cederbaum, J. Chem. Phys. 0021-9606 10.1063/1.1501903 117, 5511 (2002); S. Feuerbacher, T. Sommerfeld, R. Santra, and L. S. Cederbaum, J. Chem. Phys. 118, 6188 (2003).
28. R. Santra and L. S. Cederbaum, J. Chem. Phys. 0021-9606 10.1063/1.1501903 117, 5511 (2002); S. Feuerbacher, T. Sommerfeld, R. Santra, and L. S. Cederbaum, J. Chem. Phys. 118, 6188 (2003).
29. R. Santra and L. S. Cederbaum, J. Chem. Phys. 115, 6853 (2001).
30. V. I. Kukulin, V. M. Krasnopol'sky, and J. Horaček, Theory of Resonances (Kluwer, Dordrecht, 1989).
31. J. Tennyson and L. A. Morgan, Philos. Trans. R. Soc. London, Ser. A 0962-8428 10.1098/rsta.1999.0369 357, 1161 (1999); W. P. Reinhardt, Annu. Rev. Phys. Chem. 33, 223 (1982).
32. J. Tennyson and L. A. Morgan, Philos. Trans. R. Soc. London, Ser. A 0962-8428 10.1098/rsta.1999.0369 357, 1161 (1999); W. P. Reinhardt, Annu. Rev. Phys. Chem. 33, 223 (1982).
33. H. Feshbach, Ann. Phys. (N.Y.) 0003-4916 10.1016/0003-4916(58)90007-1 5, 357 (1958); H. Feshbach, Ann. Phys. (N.Y.) 19, 287 (1962); P. W. Langhoff, in Electron Molecule and Photon Molecule Collisions, edited by, T. Resigno, V. Mckoy, and, B. Schneider, (Plenum, New York, 1979).
34. H. Feshbach, Ann. Phys. (N.Y.) 0003-4916 10.1016/0003-4916(58)90007-1 5, 357 (1958); H. Feshbach, Ann. Phys. (N.Y.) 19, 287 (1962); P. W. Langhoff, in Electron Molecule and Photon Molecule Collisions, edited by, T. Resigno, V. Mckoy, and, B. Schneider, (Plenum, New York, 1979).
35. H. Feshbach, Ann. Phys. (N.Y.) 0003-4916 10.1016/0003-4916(58)90007-1 5, 357 (1958); H. Feshbach, Ann. Phys. (N.Y.) 19, 287 (1962); P. W. Langhoff, in Electron Molecule and Photon Molecule Collisions, edited by, T. Resigno, V. Mckoy, and, B. Schneider, (Plenum, New York, 1979).
36. R. A. Donnelly and J. Simons, J. Chem. Phys. 0021-9606 10.1063/1.440455 73, 2858 (1980); J. Simons, J. Chem. Phys. 75, 2465 (1981).
37. R. A. Donnelly and J. Simons, J. Chem. Phys. 0021-9606 10.1063/1.440455 73, 2858 (1980); J. Simons, J. Chem. Phys. 75, 2465 (1981).
38. N. Moiseyev, J. Phys. B 0953-4075 10.1088/0953-4075/31/7/009 31, 1431 (1998); N. Moiseyev, P. R. Certain, and F. Weinhold, Mol. Phys. 36, 1613 (1978).
39. N. Moiseyev, J. Phys. B 0953-4075 10.1088/0953-4075/31/7/009 31, 1431 (1998); N. Moiseyev, P. R. Certain, and F. Weinhold, Mol. Phys. 36, 1613 (1978).
40. U. V. Riss and H. D. Meyer, J. Phys. B 31, 2279 (1998).
41. T. Sommerfeld, U. V. Riss, H. D. Meyer, L. S. Cederbaum, B. Engels, and H. U. Suter, J. Phys. B 31, 4170 (1998).
42. G. Jolicard and E. J. Austin, Chem. Phys. Lett. 121, 106 (1985).
43. G. Jolicard and E. J. Austin, Chem. Phys. Lett. 103, 295 (1985).
44. M. K. Mishra, O. Goscinski, and Y. Öhrn, J. Chem. Phys. 0021-9606 10.1063/1.445668 79, 5505 (1983); M. N. Medikeri and M. K. Mishra, J. Chem. Phys. 103, 676 (1995).
45. M. K. Mishra, O. Goscinski, and Y. Öhrn, J. Chem. Phys. 0021-9606 10.1063/1.445668 79, 5505 (1983); M. N. Medikeri and M. K. Mishra, J. Chem. Phys. 103, 676 (1995).
46. Y. Sajeev, M. K. Mishra, N. Vaval, and S. Pal, J. Chem. Phys. 0021-9606 10.1063/1.1630025 120, 67 (2004); Y. Sajeev, R. Santra, and S. Pal, J. Chem. Phys. 0021-9606 10.1063/1.2130338 123, 204110 (2005); Y. Sajeev and S. Pal, Mol. Phys. 103, 2267 (2005).
47. Y. Sajeev, M. K. Mishra, N. Vaval, and S. Pal, J. Chem. Phys. 0021-9606 10.1063/1.1630025 120, 67 (2004); Y. Sajeev, R. Santra, and S. Pal, J. Chem. Phys. 0021-9606 10.1063/1.2130338 123, 204110 (2005); Y. Sajeev and S. Pal, Mol. Phys. 103, 2267 (2005).
48. Y. Sajeev, M. K. Mishra, N. Vaval, and S. Pal, J. Chem. Phys. 0021-9606 10.1063/1.1630025 120, 67 (2004); Y. Sajeev, R. Santra, and S. Pal, J. Chem. Phys. 0021-9606 10.1063/1.2130338 123, 204110 (2005); Y. Sajeev and S. Pal, Mol. Phys. 103, 2267 (2005).
49. A. B. Trofimov and J. Schirmer, J. Chem. Phys. 123, 144115 (2005).
50. H. Hennig, J. Breidbach, and L. Cederbaum, J. Chem. Phys. 122, 134104 (2005).
51. T. Sommerfeld and R. Santra, Int. J. Quantum Chem. 82, 218 (2001).
52. T. Dunning, J. Chem. Phys. 90, 1007 (1989).
53. R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
54. D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).
55. T. van Mourik, A. K. Wilson, and T. H. Dunning, Jr., Mol. Phys. 96, 529 (1999).
56. V. Averbukh, I. B. Mueller, and L. S. Cederbaum, Phys. Rev. Lett. 93, 263002 (2004).