Dramatic response effects in the photoionization of the second-row hydrides: A time-dependent density functional investigation

Journal of Chemical Physics

Volumn 118, Issue 22, 2003, Pages 10051-10064

  Fronzoni, G ^a   Stener, M ^a   Decleva, P ^a  

^a UNIVERSITY OF TRIESTE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; HYDROCHLORIC ACID; MOLECULES; PHOTOIONIZATION; PROBABILITY DENSITY FUNCTION;

COOPER MINIMA; OUTER VALENCE CHEMICAL BOND ORBITALS; PHOTON ENERGY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

HYDRIDES;

EID: 0038609342     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1572451     Document Type: Article

References (62)

1. R. R. Lucchese and V. McKoy, Phys. Rev. A 21, 112 (1980).
2. L. A. Collins and B. I. Schneider, Phys. Rev. A 24, 2387 (1981).
3. D. E. Manolopoulos and R. E. Wyatt, Chem. Phys. Lett. 152, 23 (1988).
4. D. L. Lynch and B. I. Schneider, Phys. Rev. A 45, 4494 (1992).
5. T. N. Rescigno and C. W. McCurdy, Phys. Rev. A 31, 624 (1985).
6. P. Lin and R. R. Lucchese, J. Chem. Phys. 113, 1843 (2000).
7. I. Cacelli, V. Carravetta, and R. Moccia, Chem. Phys. 184, 213 (1994).
8. I. Cacelli, R. Moccia, and R. Rizzo, J. Chem. Phys. 102, 7131 (1995).
9. I. Cacelli, R. Moccia, and R. Rizzo, Phys. Rev. A 57, 1895 (1998).
10. M. Venuti, M. Stener, and P. Decleva, Chem. Phys. 234, 95 (1998).
11. N. Rösch and I. Wilhelmy, Chem. Phys. Lett. 189, 499 (1992).
12. I. Wilhelmy, L. Ackermann, A. Görling, and N. Rösch, J. Chem. Phys. 100, 2808 (1994).
13. D. Toffoli, M. Stener, G. Fronzoni, and P. Decleva, Chem. Phys. 276, 25 (2002).
14. T. Seideman, J. Chem. Phys. 107, 7859 (1997).
15. P. Colavita, G. De Alti, G. Fronzoni, M. Stener, and P. Decleva, Phys. Chem. Chem. Phys. 3, 4481 (2001).
16. M. Stener and P. Decleva, J. Chem. Phys. 112, 10 871 (2000).
17. Z. H. Levine and P. Soven, Phys. Rev. A 29, 625 (1984).
18. M. Stener, P. Decleva, I. Cacelli, R. Moccia, and R. Montuoro, Chem. Phys. 272, 15 (2001).
19. M. Stener, G. Fronzoni, and P. Decleva, Chem. Phys. Lett. 351, 469 (2002).
20. T. Nakatsukasa and K. Yabana, J. Chem. Phys. 114, 2550 (2001).
21. M. Stener, G. Fronzoni, D. Toffoli, and P. Decleva, Chem. Phys. 282, 337 (2002).
22. S. Svensson, L. Karlsson, P. Baltzer, B. Wannberg, U. Gelius, and M. Y. Adam, J. Chem. Phys. 89, 7193 (1988).
23. M. Y. Adam, A. Naves de Brito, M. P. Keane, S. Svensson, L. Karlsson, E. Källne, and N. Correia, J. Electron Spectrosc. Relat. Phenom. 56, 241 (1991).
24. C. Cauletti, M. N. Piancastelli, and M. Y. Adam, J. Mol. Struct. 174, 135 (1988).
25. S. A. C. Clark, E. Wiegold, C. E. Brion, E. R. Davidson, R. F. Frey, C. M. Boyle, W. Von Niessen, and J. Schirmer, Chem. Phys. 134, 229 (1989).
26. A. Zangwill and P. Soven, Phys. Rev. A 21, 1561 (1980).
27. I. Cacelli, V. Carravetta, and R. Moccia, Mol. Phys. 59, 385 (1986).
28. G. H. F. Diercksen and P. W. Langhoff, Chem. Phys. 112, 227 (1987).
29. I. Cacelli, V. Carravetta, and R. Moccia, Chem. Phys. 120, 51 (1988).
30. V. Carravetta and I. Cacelli, Chem. Phys. 243, 77 (1999).
31. L. E. Machado, M.-T. Lee, and L. M. Brescansin, J. Chem. Phys. 110, 7228 (1999).
32. R. Van Leeuwen and E. J. Baerends, Phys. Rev. A 49, 2421 (1994).
33. S. J. A. van Gisbergen, V. P. Osinga, O. V. Gritsenko, R. van Leeuwen, J. G. Snijders, and E. J. Baerends, J. Chem. Phys. 105, 3142 (1996).
34. M. Stener, S. Furlan, and P. Decleva, J. Phys. B 33, 1081 (2000).
35. M. Brosolo and P. Decleva, Chem. Phys. 159, 185 (1992).
36. E. Gross and W. Kohn, Adv. Quantum Chem. 21, 255 (1990).
37. G. D. Mahan and K. R. Subbaswamy, Local Density Theory of Polarizability (Plenum, New York, 1990).
38. E. J. Baerends, D. E. Ellis, and P. Ros, Chem. Phys. 2, 41 (1973).
39. C. Fonseca Guerra, J. G. Snijders, G. te Velde, and E. J. Baerends. Theor. Chem. Acc. 99, 391 (1998).
40. C. de Boor, A Practical Guide to Splines (Springer, New York, 1978).
41. P. G. Burke, N. Chandra, and F. A. Gianturco, J. Phys. B 5, 2212 (1972).
42. M. Stener, P. Decleva, and A. Görling, J. Chem. Phys. 114, 7816 (2001).
43. T. A. Carlson, M. O. Krause, A. Fahlman, P. R. Keller, J. W. Taylor, T. Whitley, and F. A. Grimm, J. Chem. Phys. 79, 2157 (1983).
44. M. Y. Adam, P. Morin, C. Cauletti, and M. N. Piancastelli, J. Electron. Spectrosc. Relat. Phenom. 36, 377 (1985).
45. J. P. Perdew, R. G. Parr, M. Levy, and J. L. Balduz, Jr., Phys. Rev. Lett. 49, 1691 (1982).
46. D. P. Chong, O. V. Gritsenko, and E. J. Baerends, J. Chem. Phys. 116, 1760 (2002).
47. S. Daviel, Y. Iida, F. Carnovale, and C. E. Brion, Chem. Phys. 83, 319 (1984).
48. R. Feng, G. Cooper, and C. E. Brion, Chem. Phys. 249, 223 (1999).
49. T.A. Carlson, M.O. Krause, W.A. Svensson, P. Gerard, F.A. Grimm, T. A. Whitley, and B. P. Pullen, Z. Phys. D: At., Mol. Clusters 2, 309 (1986).
50. P. Baltzer, L. Karlsson, M. Lundqvist, B. Wannberg, D.M. P. Holland, and M. A. MacDonald, Chem. Phys. 195, 403 (1995).
51. M. Y. Adam, C. Cauletti, M. N. Piancastelli, and A. Svensson, J. Electron Spectrosc. Relat. Phenom. 50, 219 (1990).
52. E. B. Zarate, G. Cooper, and C.E. Brion, Chem. Phys. 148, 277 (1990).
53. C. Cauletti, M. N. Piancastelli, and M. Y. Adam, J. Electron Spectrosc. Relat. Phenom. 48, 379 (1989).
54. G. Cooper, T. Ibuki, and C. E. Brion, Chem. Phys. 140, 133 (1990).
55. M. Roche, D. R. Salahub, and R. P. Messmer, J. Electron Spectrosc. Relat. Phenom. 19, 273 (1980).
56. M. Stener and P. Decleva, J. Electron Spectrosc. Relat. Phenom. 94, 195 (1998).
57. A. Lisini, M. Brosolo, P. Decleva, and G. Fronzoni, J. Mol. Struct.: THEOCHEM 253, 333 (1992).
58. A. Görling, Phys. Rev. Lett. 83, 5459 (1999).
59. T. N. Olney, N. M. Cann, G. Cooper, and C. E. Brion, Chem. Phys. 223, 59 (1997).
60. R. Feng, G. Cooper, and C. E. Brion, Chem. Phys. 244, 127 (1999).
61. G. Cooper, G. R. Burton, W. F. Chan, and C. E. Brion, Chem. Phys. 196, 293 (1995).
62. E. B. Zarate, G. Cooper, and C. E. Brion, Chem. Phys. 148, 289 (1990).