PtF62- dianion and its detachment spectrum: A fully relativistic study

Journal of Chemical Physics

Volumn 126, Issue 14, 2007, Pages

  Pernpointner, Markus ^a   Cederbaum, Lorenz S ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON CORRELATIONS; IONIZATION; MOLECULAR DYNAMICS; PHOTOELECTRONS; RELATIVITY; VALENCE BANDS;

DETACHMENT SPECTRUM; DIANIONS; PARTICLE PROPAGATOR TECHNIQUE; SPIN ORBIT SPLITTING;

PLATINUM COMPOUNDS;

EID: 34247235150     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2721531     Document Type: Article

References (56)

1. J. Kalcher and A. F. Sax, Chem. Rev. (Washington, D.C.) 94, 2291 (1994).
2. M. K. Scheller, R. N. Compton, and L. S. Cederbaum, Science 270, 1160 (1995).
3. A. I. Boldyrev, M. Gutowski, and J. Simons, Acc. Chem. Res. 29, 497 (1996).
4. X. B. Wang and L. S. Wang, J. Chem. Phys. 111, 4497 (1999).
5. X. B. Wang and L. S. Wang, Phys. Rev. Lett. 83, 3402 (1999).
6. J. Friedrich, P. Weis, J. Kaller, R. L. Whetten, and M. M. Kappes, Eur. Phys. J. D 9, 269 (1999).
7. L. S. Wang and X. B. Wang, J. Am. Chem. Soc. 122, 2339 (2000).
8. P. Weis, O. Hampe, S. Gilb, and M. M. Kappes, Chem. Phys. Lett. 321, 426 (2000).
9. M. Blom, O. Hampe, S. Gilb, P. Weis, and M. M. Kappes, J. Chem. Phys. 115, 3690 (2001).
10. J. Friedrich, S. Gilb, O. Ehrler, A. Behrendt, and M. M. Kappes, J. Chem. Phys. 117, 2635 (2002).
11. A. Dreuw and L. S. Cederbaum, Chem. Rev. (Washington, D.C.) 102, 181 (2002).
12. L. S. Wang and X. B. Wang, J. Phys. Chem. A 104, 1978 (2000).
13. A. Dreuw and L. S. Cederbaum, Phys. Rev. A 63, 012501 (2001).
14. M. O. A. El Ghazaly, A. Svendsen, H. Bluhme, A. B. Nielsen, S. Brøndsted Nielsen, and L. H. Andersen, Phys. Rev. Lett. 93, 203201 (2004).
15. G. Bojesen, P. Hvelplund, T. J. D. Jørgensen, and S. Brøndsted Nielsen, J. Chem. Phys. 113, 6608 (2000).
16. X. B. Wang, Y. L. Wang, H. K. Woo, J. Li, G. S. Wu, and L. S. Wang, Chem. Phys. 329, 230 (2006).
17. T. Sommerfeld, S. Feuerbacher, M. Pernpointner, and L. S. Cederbaum, J. Chem. Phys. 118, 1747 (2003).
18. M. Pernpointner, J. Breidbach, and L. S. Cederbaum, J. Chem. Phys. 122, 064311 (2005).
19. J. Schirmer, L. S. Cederbaum, and O. Walter, Phys. Rev. A 28, 1237 (1983).
20. M. Pernpointner and A. B. Trofimov, J. Chem. Phys. 120, 4098 (2004).
21. M. Pernpointner, J. Chem. Phys. 121, 8782 (2004).
22. J. Breidbach, computer code ND-ADC3 Version 1.1.0, Theoretical Chemistry, Heidelberg, 2004.
23. L. Visscher, O. Visser, P. J. C. Aerts, H. Merenga, and W. C. Nieuwpoort, Comput. Phys. Commun. 81, 120 (1994).
24. M. Pernpointner, L. Visscher, W. A. de Jong, and R. Broer, J. Comput. Chem. 21, 1176 (2000).
25. H. J. Aa. Jensen, T. Saue, L. Visscher et al., computer code DIRAC, a relativistic ab initio electronic structure program, release DIRAC04.0, 2004, http://dkac.chem.sdu.dk.
26. M. Pernpointner, computer code RELADC, version 0.9.0 (2004) and version 1.0.0 (2006), Theoretical Chemistry, Heidelberg, 2004 and 2006.
27. A. A. Abrikosov, L. P. Gorkov, and I. E. Dzyaloshinski, Methods of Quantum Field Theory in Statistical Physics (Prentice-Hall, Englewood Cliffs, 1963).
28. A. L. Fetter and J. D. Walecka, Quantum Theory of Many-Particle Systems (McGraw-Hill, New York, 1971).
29. R. D. Mattuck, A Guide to Feynman Diagrams in the Many-Body Problem (McGraw-Hill, New York, 1967).
30. L. S. Cederbaum and W. Domcke, Adv. Chem. Phys. 36, 205 (1977).
31. J. Simons, Annu. Rev. Phys. Chem. 28, 1 (1977).
32. L. S. Cederbaum, W. Domcke, J. Schirmer, and W. von Niessen, Adv. Chem. Phys. 65, 115 (1986).
33. J. Oddershede, Adv. Quantum Chem. 11, 275 (1978).
34. M. F. Herman, K. F. Freed, and D. L. Yeager, Adv. Chem. Phys. 48, 1 (1981).
35. Y. Öhrn and G. Born, Adv. Quantum Chem. 13, 1 (1981).
36. W. von Niessen, J. Schirmer, and L. S. Cederbaum, Comput. Phys. Rep. 1, 57 (1984).
37. J. V. Ortiz, J. Chem. Phys. 104, 7599 (1996).
38. J. V. Ortiz, J. Chem. Phys. 108, 1008 (1998).
39. I. P. Grant and H. M. Quiney, Adv. At. Mol. Phys. 23, 37 (1988).
40. H. M. Quiney, Relativistic Effects in Atoms and Molecules, edited by S. Wilson (Plenum, New York, 1988)
41. [Methods Comput. Chem. 2, 223 (1988)].
42. H. M. Quiney, I. P. Grant, and S. Wilson, Phys. Scr. 36, 460 (1987).
43. H. M. Quiney, I. P. Grant, and S. Wilson, in Many-Body Methods in Quantum Chemistry, edited by U. Kaldor (Springer, Berlin, 1989).
44. S. Wilson, The Effects of Relativity on Atoms, Molecules and the Solid State (Plenum, New York, 1991).
45. J. Schirmer and G. Angonoa, J. Chem. Phys. 91, 1754 (1989).
46. A. B. Trofimov and J. Schirmer, J. Chem. Phys. 123, 144115 (2005).
47. K. D. Dyall, I. P. Grant, F. A. Parpia, and E. P. Plummer, Comput. Phys. Commun. 55, 425 (1989).
48. K. G. Dyall and K. Fægri, Theor. Chim. Acta 94, 39 (1996).
49. F. Mark and W. H. E. Schwarz, Phys. Rev. Lett. 48, 673 (1982).
50. W. H. E. Schwarz and H. Wallmeier, Mol. Phys. 46, 1045 (1982).
51. R. E. Stanton and S. J. Havriliak, Chem. Phys. 81, 1910 (1984).
52. K. Dyall, I. P. Grant, and S. Wilson, J. Phys. B 17, 1910 (1984).
53. P. J. C. Aerts and W. C. Nieuwpoort, Chem. Phys. Lett. 125, 83 (1986).
54. W. Kutzelnigg, Int. J. Quantum Chem. 25, 107 (1984).
55. L. S. Cederbaum, J. Zobeley, and F. Tarantelli, Phys. Rev. Lett. 79, 4778 (1997).
56. C. Buth, R. Santra, and L. S. Cederbaum, J. Chem. Phys. 119, 10575 (2003).