Incorporation of nonadiabatic transition into wave-packet dynamics

Journal of Chemical Physics

Volumn 123, Issue 14, 2005, Pages

  Mil'nikov, Gennady V ^a   Zou, Shiyang ^a   Nakamura, Hiroki ^a  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

MECHANICAL WAVES; QUANTUM THEORY;

ADIABATIC PROPAGATION; NONADIABATIC TRANSITION; R-MATRIX METHODS; WAVE PACKET DYNAMICS;

WAVE PROPAGATION;

EID: 26944490677     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2074457     Document Type: Article

References (37)

1. D. T. Colbert and W. H. Miller, J. Chem. Phys. 96, 1982 (1992).
2. J. Fair, D. Schaefer, R. Kosloff, and D. Nesbitt, J. Chem. Phys. 116, 1406 (2002).
3. H. Yu and J. Muckerman, J. Chem. Phys. 117, 11139 (2002).
4. D. Charlo and D. Clary, J. Chem. Phys. 117, 1660 (2002).
5. B. M. Garraway and K.-A. Souminen, Rep. Prog. Phys. 58, 365 (1995).
6. M. D. Feit, J. A. Fleck, Jr., and A. Steiger, J. Chem. Phys. 78, 301 (1983).
7. D. Kosloff and R. Kosloff, J. Comput. Phys. 52, 35 (1983).
8. H. Tal-Ezer and R. Kosloff, J. Chem. Phys. 81, 3967 (1984).
9. R. Kosloff, Annu. Rev. Phys. Chem. 45, 145 (1994).
10. T. J. Park and J. C. Light, J. Chem. Phys. 85, 5870 (1986).
11. E. Heller, J. Chem. Phys. 75, 2923 (1981).
12. W. H. Miller, J. Phys. Chem. A 105, 2942 (2001).
13. M. Ben-Nun and T. Martinez, J. Chem. Phys. 112, 6113 (2000).
14. D. V. Shalashilin and M. Child, J. Chem. Phys. 115, 5367 (2001).
15. M. Beck, A. Jackle, G. Worth, and H. Meyer, Phys. Rep. 324, 1 (2000).
16. M. F. Herman and E. Kluk, Chem. Phys. 91, 27 (1984).
17. E. Kluk, M. F. Herman, and H. L. Davis, J. Chem. Phys. 84, 326 (1986).
18. M. F. Herman, Annu. Rev. Phys. Chem. 45, 83 (1994).
19. M. F. Herman, Chem. Phys. Lett. 274, 445 (1997).
20. G. Campolieti and P. Brumer, J. Chem. Phys. 109, 2999 (1998).
21. A. R. Walton and D. E. Manolopoulos, Chem. Phys. Lett. 244, 448 (1995).
22. H. Wang, M. Toss, K. L. Sorge, R. Gelabert, X. Gimenez, and W. H. Miller, J. Chem. Phys. 114, 2562 (2001).
23. H. Nakamura, Nonadiabatic Transition: Concepts, Basic Theories, and Applications (World Scientific, Singapore, 2002).
24. G. C. G. Waschewsky, P. W. Kash, T. L. Myers, D. C. Kitchen, and L. J. Butler, J. Chem. Soc. Faraday Trans 47, 1 (1981).
25. P. J. Reid, M. K. Lawless, S. D. Wickham, and R. A. Mathies, J. Phys. Chem. 98, 5597 (1994).
26. J. Jortner and R. D. Levine, Adv. Chem. Phys. 47, 1 (1981).
27. P. Felker and A. H. Zewail, Adv. Chem. Phys. 70, 265 (1988).
28. H. D. Meyer and W. H. Miller, J. Chem. Phys. 70, 3214 (1979).
29. M. Thoss and G. Stock, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.78. 578 78, 578 (1997); M. Thoss and G. Stock, Phys. Rev. A 59, 64 (1999).
30. M. Thoss and G. Stock, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.78. 578 78, 578 (1997); M. Thoss and G. Stock, Phys. Rev. A 59, 64 (1999).
31. J. C. Tully and R. K. Preston, J. Chem. Phys. 55, 562 (1971).
32. C. Zhu, G. V. Mil'nikov, and H. Nakamura, in Modern Trends in Chemical Reaction Dynamics Part I, edited by, K. P. Liu, and, X. M. Yang, (World Scientific, Singapore, 2003).
33. A. Kondorskiy and H. Nakamura, J. Chem. Phys. 0021-9606 10.1063/1.1687679 120, 8937 (2004); A. Kondorskiy and H. Nakamura, J. Theor. Comput. Chem. 4, 89 (2004).
34. A. Kondorskiy and H. Nakamura, J. Chem. Phys. 0021-9606 10.1063/1.1687679 120, 8937 (2004); A. Kondorskiy and H. Nakamura, J. Theor. Comput. Chem. 4, 89 (2004).
35. K. L. Baluja, P. G. Burke, and L. A. Morgan, Comput. Phys. Commun. 27, 299 (1982).
36. M. D. Feit and J. A. Fleck, J. Chem. Phys. 78, 301 (1983).
37. C. Leforestier, R. H. Besseling, C. Cerjan, J. Comput. Phys. 94, 59 (1991).