Semiclassical nonadiabatic dynamics based on quantum trajectories for the O( 3P, 1P) + H 2 system

Journal of Chemical Physics

Volumn 124, Issue 24, 2006, Pages

  Garashchuk, Sophya ^a,b   Rassolov, Vitaly A ^a   Schatz, George C ^b  

^a UNIVERSITY OF SOUTH CAROLINA   (United States)

^b NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STATE; INTERSYSTEM CROSSING; WAVE-PACKET REACTION PROBABILITIES;

ELECTRONIC STRUCTURE; FUNCTIONS; PROBABILITY; TRAJECTORIES;

DYNAMICS;

EID: 33745601178     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2208615     Document Type: Article

References (45)

1. L. J. Butler, Annu. Rev. Phys. Chem. 49, 125 (1998).
2. L. Sun, K. Song, and W. L. Hase, Science 296, 875 (2002).
3. S. C. Ammal, H. Yamataka, M. Aida, and M. Dupuis, Science 299, 1555 (2003).
4. J. C. Tully, J. Chem. Phys. 93, 1061 (1990).
5. J. C. Tully, Faraday Discuss. 110, 407 (1998).
6. Z. Qu, H. Zhu, S. Y. Grebenshchikov, and R. Schinke, J. Chem. Phys. 122, 191102 (2005).
7. E. Martinez-Nunez, S. Vazquez, G. Granucci, M. Persico, and C. M. Estevez, Chem. Phys. Lett. 412, 35 (2005).
8. B. Maiti and G. C. Schatz, J. Chem. Phys. 119, 12360 (2003).
9. D. C. Robie, S. Arepalli, N. Presser, T. Kitsopoulos, and R. J. Gordon, J. Chem. Phys. 92, 7382 (1990).
10. D. J. Garton, T. K. Minton, B. Maiti, D. Troya, and G. C. Schatz, J. Chem. Phys. 118, 1585 (2003).
11. M. Braunstein, S. Adler-Golden, B. Maiti, and G. C. Schatz, J. Chem. Phys. 121, 4316 (2004).
12. N. Balakrishnan, J. Chem. Phys. 119, 195 (2003).
13. T.-S. Chu, X. Zhang, and K.-L. Han, J. Chem. Phys. 122, 213201 (2005).
14. S. Rogers, D. Wang, A. Kuppermann, and S. Walch, J. Phys. Chem. A 104, 2308 (2000).
15. A. J. Dobbyn and P. J. Knowles, Faraday Discuss. 110, 247 (1998).
16. M. R. Hoffmann and G. C. Schatz, J. Chem. Phys. 113, 9456 (2000).
17. S. Garashchuk and V. A. Rassolov, Chem. Phys. Lett. 376, 358 (2003).
18. V. A. Rassolov, S. Garashchuk, and G. C. Schatz, J. Phys. Chem. A 110, 5330 (2006).
19. V. A. Rassolov and S. Garashchuk, Phys. Rev. A 71, 032511 (2005).
20. S. Garashchuk, V. A. Rassolov, and G. C. Schatz, J. Chem. Phys. 123, 174108 (2005).
21. D. Bohm, Phys. Rev. 85, 166 (1952).
22. S. Garashchuk and V. A. Rassolov, J. Chem. Phys. 120, 1181 (2004).
23. V. A. Rassolov and S. Garashchuk, J. Chem. Phys. 120, 6815 (2004).
24. S. Garashchuk and V. A. Rassolov, J. Chem. Phys. 121, 8711 (2004).
25. C. L. Lopreore and R. E. Wyatt, Phys. Rev. Lett. 82, 5190 (1999).
26. E. R. Bittner, J. Chem. Phys. 112, 9703 (2000).
27. R. E. Wyatt and E. R. Bittner, J. Chem. Phys. 113, 8898 (2000).
28. B. K. Kendrick, J. Chem. Phys. 119, 5805 (2003).
29. D. Babyuk and R. E. Wyatt, J. Chem. Phys. 121, 9230 (2004).
30. B. Poirier, J. Chem. Phys. 121, 4501 (2004).
31. J. Liu and N. Makri, J. Phys. Chem. A 108, 5408 (2004).
32. I. Burghardt and L. S. Cederbaum, J. Chem. Phys. 115, 10303 (2001).
33. I. Burghardt and L. S. Cederbaum, J. Chem. Phys. 115, 10312 (2001).
34. I. Burghardt and K. B. Moller, J. Chem. Phys. 117, 7409 (2002).
35. J. B. Maddox and E. R. Bittner, J. Phys. Chem. B 106, 7981 (2002).
36. E. R. Bittner, J. B. Maddox, and I. Burghardt, Int. J. Quantum Chem. 89, 313 (2002).
37. A. Donoso and C. C. Martens, Phys. Rev. Lett. 87, 223202 (2001).
38. C. J. Trahan and R. E. Wyatt, J. Chem. Phys. 119, 7017 (2003).
39. B. K. Kendrick, J. Chem. Phys. 121, 2471 (2004).
40. R. E. Wyatt and K. Na, Phys. Rev. E 65, 016702 (2002).
41. P. M. Morse, Phys. Rev. 34, 57 (1929).
42. W. Press, B. Flannery, S. Teukolsky, and W. Vetterling, Numerical Recipes: The Art of Scientific Computing 2nd ed. (Cambridge University Press, Cambridge, 1992).
43. C. Leforestier, R. H. Bisselling, C. Cerjan et al., J. Comput. Phys. 94, 59 (1991).
44. M. D. Feit, J. A. Fleck, and A. Steiger, J. Comput. Phys. 47, 412 (1982).
45. J. C. Light, I. P. Hamilton, and J. V. Lill, J. Chem. Phys. 82, 1400 (1985).