Generalized trajectory surface hopping method based on the Zhu-Nakamura theory

Journal of Chemical Physics

Volumn 124, Issue 14, 2006, Pages

  Oloyede, Ponmile ^a   Mil'nikov, Gennady ^b   Nakamura, Hiroki ^b  

^a GRADUATE UNIVERSITY FOR ADVANCED STUDIES   (Japan)

^b NONE

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; QUANTUM THEORY; SURFACE TREATMENT;

ANGULAR MOMENTUM; TRAJECTORY SURFACE; ZHU-NAKAMURA THEORY;

SURFACE CHEMISTRY;

EID: 34547236983     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2187978     Document Type: Article

References (40)

1. H. Nakamura, Nonadiabatic Transitions, Concepts, Basic Theories and Applications (World Scientific, Singapore, 2002).
2. J. Michl and V. Bonacic-Koutecky, Electronic Aspects of Organic Photochemistry (Wiley, New York, 1990).
3. Electron Transfer in Inorganic, Organic and Biological Systems, edited by, J. Bolton, N. Mataga, and, G. Mclendon, (American Chemical Society, Washington, DC, 1991).
4. W. H. Miller, J. Chem. Phys. 53, 3578 (1970).
5. W. H. Miller, J. Phys. Chem. A 105, 1942 (2001).
6. W. H. Miller and X. Sun, J. Chem. Phys. 106, 916 (1997).
7. E. J. Heller, J. Chem. Phys. 94, 2723 (1991).
8. A. Wolton and D. E. Manolopoulos, Mol. Phys. 84, 961 (1996).
9. M. F. Herman and E. Kluk, Chem. Phys. 91, 27 (1984).
10. E. Kluk, M. F. Herman, and H. L. Davis, J. Chem. Phys. 84, 326 (1986).
11. M. F. Herman, Annu. Rev. Phys. Chem. 45, 83 (1994).
12. M. F. Herman, Chem. Phys. Lett. 274, 445 (1997).
13. G. Campolieti and P. Brumer, J. Chem. Phys. 109, 2999 (1998).
14. A. R. Walton and D. E. Manolopoulos, Chem. Phys. Lett. 244, 448 (1995).
15. M. Ben-Nun and T. Martinez, J. Chem. Phys. 108, 7244 (1998).
16. A. W. Jasper, S. N. Stechmann, and D. G. Truhlar, J. Chem. Phys. 116, 5424 (2002).
17. J. Tully and R. Preston, J. Chem. Phys. 55, 562 (1971).
18. A. Bjerre and E. E. Nikitin, Chem. Phys. Lett. 1, 179 (1967).
19. J. C. Tully, in Modern Methods for Multidimensional Dynamics Computations in Chemistry, edited by, D. L. Thompson, (World Scientific, Singapore, 1998).
20. Conical Intersections, Electronic Structure, Dynamics & Spectroscopy, edited by, W. Domcke, D. Yarkony, and, H. Köppel, (World Scientific, Singapore, 2004).
21. A. Jasper, B. K. Kendrick, C. A. Mead, and D. G. Truhlar, in Modern Trends Chemical Reaction Dynamics: Experiment and Theory, edited by, X. Yang, and, K. Liu, (World Scientific, Singapore, 2004).
22. L. D. Landau, Phys. Zts. Sov. 2, 46 (1932).
23. C. Zener, Proc. R. Soc. London 137, 696 (1932).
24. M. S. Topaler, T. C. Allison, D. W. Schwenke, and D. G. Truhlar, J. Phys. Chem. A 102, 1666 (1998).
25. Y. L. Volobuev, M. D. Hack, and D. G. Truhlar, J. Phys. Chem. A 103, 6309 (1999).
26. M. D. Hack, A. Jasper, Y. L. Volobuev, D. Schwenke, and D. G. Truhlar, J. Phys. Chem. A 104, 217 (2000).
27. Y. L. Volobuev, M. D. Hack, M. Topaler, and D. G. Truhlar, J. Chem. Phys. 112, 9716 (2000).
28. A. Jasper, M. D. Hack, and D. G. Truhlar, J. Chem. Phys. 115, 1804 (2001).
29. M. D. Hack and D. G. Truhlar, J. Chem. Phys. 114, 2894 (2001).
30. J. C. Tully, J. Chem. Phys. 93, 1061 (1990).
31. E. Nikitin, Annu. Rev. Phys. Chem. 50, 1 (1999).
32. C. Zhu, K. Nobusada, and H. Nakamura, J. Chem. Phys. 115, 3031 (2001).
33. C. Zhu, H. Kamisaka, and H. Nakamura, J. Chem. Phys. 115, 11036 (2001).
34. C. Zhu, H. Kamisaka, and H. Nakamura, J. Chem. Phys. 116, 3234 (2002).
35. C. Zhu, Y. Teranishi, and H. Nakamura, Adv. Chem. Phys. 117, 127 (2001).
36. J. Tully and R. Preston, J. Chem. Phys. 54, 4297 (1970).
37. F. O. Ellison, J. Am. Chem. Soc. 85, 3540 (1963).
38. O. I. Tolstikhin and H. Nakamura, J. Chem. Phys. 108, 8899 (1998).
39. G. V. Mil'nikov and H. Nakamura, Comput. Phys. Commun. 140, 381 (2001).
40. P. Oloyede, G. Mil'Nikov, and H. Nakamura, J. Theor. Comput. Chem. 3, 91 (2004).