Semiclassical estimation of Franck-Condon factors and transition rates for vertical and nonvertical transitions

Journal of Chemical Physics

Volumn 118, Issue 13, 2003, Pages 5852-5861

  Sergeev, A V ^a   Segev, Bilha ^a  

^a BEN GURION UNIVERSITY OF THE NEGEV   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

GROUND STATE; HAMILTONIANS; INTEGRAL EQUATIONS; MATHEMATICAL OPERATORS; MATHEMATICAL TRANSFORMATIONS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; OSCILLATORS (ELECTRONIC); PHASE SPACE METHODS; POLYNOMIALS; PROBABILITY; QUANTUM THEORY;

BORN-OPPENHEIMER SURFACES; FRANCK-CONDON FACTORS; HARMONIC OSCILLATORS; PHASE SPACE OVERLAP INTEGRAL; SURFACE HOPPING MECHANISMS; WIGNER FUNCTION;

ELECTRON TRANSITIONS;

EID: 0037396902     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1556614     Document Type: Article

References (53)

1. W. Siebrand, J. Chem. Phys. 46, 440 (1967).
2. M. Bixon and J. Jortner, J. Chem. Phys. 48, 715 (1968).
3. S. A. Rice, I. McLaughlin, and J. Jortner, J. Chem. Phys. 49, 2756 (1968).
4. S. E. Nielsen and R. S. Berry, Chem. Phys. Lett. 2, 503 (1968).
5. R. S. Berry and S. E. Nielsen, J. Chem. Phys. 49, 116 (1968).
6. M. Bixon and J. Jortner, J. Chem. Phys. 50, 4061 (1969).
7. J. Jortner, S. A. Rice, and R. M. Hochstrasser, Adv. Photochem. 7, 149 (1969).
8. J. Jortner, J. Chim. Phys. Phys.-Chim. Biol., p. 9 (1969).
9. R. S. Berry and S. E. Nielsen, Phys. Rev. A 1, 383 (1970).
10. R. S. Berry and S. E. Nielsen, Phys. Rev. A 1, 395 (1970).
11. R. Englman, The Jahn-Teller Effect in Molecules and Crystals (Wiley Interscience, London 1972).
12. W. Domcke, L. S. Cederbaum, H. Köppel, and W. Von Niessen, Mol. Phys. 34, 1759 (1977).
13. R. Englman, Non-radiative Decay of Ions and Molecules in Solids (North-Holland, Amsterdam, 1979).
14. E. S. Medvedev, Chem. Phys. 73, 243 (1982).
15. G. Fischer, Vibronic Coupling (Academic, London, 1984).
16. V. I. Osherov and E. S. Medvedev, Opt. Spectrosc. 67, 53 (1989).
17. E. S. Medvedev, Theor. Math. Phys. 90, 146 (1992).
18. E. E. Nikitin and L. P. Pitaevskii, Phys. Usp. 36, 851 (1993).
19. E. E. Nikitin and L. P. Pitaevskii, Phys. Rev. A 49, 695 (1994).
20. E. S. Medvedev and V. I. Osherov, Radiationless Transitions in Polyatomic Molecules (Springer, Berlin, 1995).
21. J. Franck, Trans. Faraday Soc. 21, 536 (1925).
22. E. Condon, Phys. Rev. 28, 1182 (1926).
23. E. U. Condon, Phys. Rev. 32, 858 (1928).
24. P.-Å. Malmqvist and N. Forsberg. Chem. Phys. 228, 227 (1998).
25. T. Müller, P. H. Vaccaro, F. Pérez-Bernal, and F. Iachello. J. Chem. Phys. 111, 5038 (1999).
26. A. Toniolo and M. Persico, J. Comput. Chem. 22, 968 (2001).
27. T. E. Sharp and H. M. Rosenstock, J. Chem. Phys. 41, 3453 (1964).
28. D. M. Burland and G. W. Robinson, J. Chem. Phys. 51, 4548 (1969).
29. I. Baraille, C. Larrieu, A. Dargelos, and M. Chaillet. Chem. Phys. 282, 9 (2002).
30. J. C. López, A. L. Rivera, Y. F. Smirnov, and A. Frank, Int. J. Quantum Chem. 88, 280 (2002).
31. T. Müller, P. H. Vaccaro, F. Pérez-Bernal, and F. Iachello, Chem. Phys. Lett. 329, 271 (2000).
32. K. Krantzman and D. Farrelly, Chem. Phys. Lett. 152, 196 (1988).
33. F. M. Fernández and J. F. Ogilvie, Chem. Phys. Lett. 169, 292 (1990).
34. E. J. Heller and D. Beck, Chem. Phys. Lett. 202, 350 (1993).
35. B. Segev and E. J. Heller, J. Chem. Phys. 112, 4004 (2000).
36. A. V. Sergeev and B. Segev, J. Phys. A 35, 1769 (2002).
37. S. Kallush, B. Segev, A. V. Sergeev, and E. J. Heller, J. Phys. Chem. A 106, 6006 (2002).
38. E. P. Wigner, Phys. Rev. 40, 749 (1932).
39. M. V. Berry, Philos. Trans. R. Soc. London. Ser. A 287, 237 (1977).
40. E. J. Heller, J. Chem. Phys. 68, 2066 (1978).
41. B. Hüpper and B. Eckardt, Phys. Rev. A 57, 1536 (1998).
42. E. J. Heller, B. Segev, and A. V. Sergeev, J. Phys. Chem. B 106, 8471 (2002).
43. R. K. Preston and J. C. Tully, J. Chem. Phys. 54, 4297 (1971).
44. M. F. Herman, J. Chem. Phys. 103, 8081 (1995).
45. M. F. Herman, J. Chem. Phys. 110, 4141 (1999).
46. M. F. Herman, J. Chem. Phys. 111, 10427 (1999).
47. M. Ben-Nun, J. Quenneville, and T. J. Martinez, J. Phys. Chem. A 104, 5161 (2000).
48. M. D. Hack, A. M. Wensmann, D. G. Truhlar, M. Ben-Nun, and T. J. Martinez, J. Chem. Phys. 115, 1172 (2001).
49. H. W. Lee, Phys. Rep. 259, 147 (1995).
50. A. Frank, A. L. Rivera, and K. B. Wolf, Phys. Rev. A 61, 054102 (2000).
51. P. M. Morse, Phys. Rev. 34, 57 (1929).
52. G. Pöschl and E. Teller, Z. Phys. 83, 143 (1933).
53. K. Weide and R. Schinke, J. Chem. Phys. 90, 7150 (1989).