Nonadiabatic molecular dynamics: Validation of the multiple spawning method for a multidimensional problem

Journal of Chemical Physics

Volumn 108, Issue 17, 1998, Pages 7244-7257

  Ben Nun, M ^a   Martínez, Todd J ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0346400157     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476142     Document Type: Article

References (59)

1. T. J. Martínez, M. Ben-Nun, and R. D. Levine, J. Phys. Chem. 100, 7884 (1996).
2. T. J. Martínez and R. D. Levine, J. Chem. Soc., Faraday Trans. 93, 940 (1997).
3. T. J. Martínez, M. Ben-Nun, and R. D. Levine, J. Phys. Chem. 101, 6389 (1997).
4. T. J. Martínez, M. Ben-Nun, and G. Ashkenazi, J. Chem. Phys. 104, 2847 (1996).
5. M. Ben-Nun, T. J. Martínez, and R. D. Levine, Chem. Phys. Lett. 270, 319 (1997).
6. M. Ben-Nun, T. J. Martínez, and R. D. Levine, J. Phys. Chem. 101, 7522 (1997).
7. J. C. Tully, in Dynamics of Molecular Collisions Part B, edited by W. H. Miller (Plenum, New York, 1976).
8. J. C. Tully, J. Chem. Phys. 93, 1061 (1990).
9. F. J. Webster, P. J. Rossky, and R. A. Friesner, Comput. Phys. Commun. 63, 494 (1991).
10. G. D. Billing, Int. Rev. Phys. Chem. 13, 309 (1994).
11. N. C. Blais and D. G. Truhlar, J. Chem. Phys. 79, 1334 (1983).
12. X. Sun and W. H. Miller, J. Chem. Phys. 106, 916 (1997).
13. J. Morelli and S. Hammes-Schiffer, Chem. Phys. Lett. 269, 161 (1997).
14. O. V. Prezhdo and P. J. Rossky, J. Chem. Phys. 107, 825 (1997).
15. M. V. Berry, Proc. R. Soc. London, Ser. A 292, 45 (1984).
16. D. G. Truhlar, C. A. Mead, and M. A. Brandt, Adv. Chem. Phys. 33, 295 (1975).
17. D. Neuhauser, R. S. Judson, D. J. Kouri, D. E. Adelman, N. E. Shafer, D. A. V. Kliner, and R. N. Zare, Science 257, 519 (1992).
18. L. Schnieder, K. Seekamp-Rahn, J. Borkowski, E. Wrede, K. H. Welge, F. J. Aoiz, L. Banares, M. J. D'Mello, V. J. Henero, V. Saez-Rabanos, and R. E. Wyatt, Science 269, 207 (1995).
19. Y. S. M. Wu and A. Kuppermann, Chem. Phys. Lett. 235, 105 (1995).
20. R. Baer, D. Charutz, R. Kosloff, and M. Baer, J. Chem. Phys. 105, 9141 (1996).
21. D. R. Yarkony, J. Chem. Phys. 104, 7866 (1996).
22. B. Kendrick and R. T Pack, J. Chem. Phys. 106, 3519 (1997).
23. F. Webster, E. T. Wang, P. J. Rossky, and R. A. Friesner, J. Phys. Chem. 104, 4835 (1994).
24. J. Campos-Martinez, J. R. Waldeck, and R. D. Coalson, J. Chem. Phys. 96, 3613 (1992).
25. A. E. Cardenas and R. D. Coalson, Chem. Phys. Lett. 265, 71 (1997).
26. J. A. Beswick and J. Jortner, Chem. Phys. 24, 1 (1977).
27. M. S. Topaler, M. D. Hack, T. C. Allison, Y.-P. Liu, S. L. Mielke, D. W. Schwenke, and D. G. Truhlar, J. Chem. Phys. 106, 8699 (1997).
28. P. Cattaneo and M. Persico, J. Phys. Chem. 101, 3454 (1997).
29. E. Keszei, T. H. Murphrey, and P. J. Rossky, J. Phys. Chem. 99, 22 (1995).
30. B. J. Schwartz, E. R. Bittner, O. V. Prezhdo, and P. J. Rossky, J. Chem. Phys. 104, 5942 (1996).
31. H.-D. Meyer and W. H. Miller, J. Phys. Chem. 70, 3214 (1979).
32. H.-D. Meyer and W. H. Miller, J. Chem. Phys. 72, 2272 (1980).
33. E. E. Nikitin, Theory of Elementary Atomic and Molecular Processes in Gases (Clarendon, Oxford, 1974).
34. E. J. Heller, J. Chem. Phys. 62, 1544 (1975).
35. J. Frenkel, Wave Mechanics: Advanced General Theory (Clarendon, Oxford, 1934).
36. A. D. McLachlan, Mol. Phys. 7, 39 (1964).
37. P. Kramer and M. Saraceno, Lecture Notes in Physics, Vol. 140, Geometry of the Time-Dependent Variational Principle (Springer, Berlin, 1981).
38. K. G. Kay, Chem. Phys. 137, 165 (1989).
39. W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in FORTRAN (Cambridge University Press, Cambridge, 1992).
40. T. J. Martínez and R. D. Levine, J. Chem. Phys. 105, 6334 (1996).
41. T. J. Martínez and R. D. Levine, Chem. Phys. Lett. 259, 252 (1996).
42. T. J. Martínez, Chem. Phys. Lett. 272, 139 (1997).
43. E. J. Heller, J. Chem. Phys. 75, 2923 (1981).
44. E. Wigner, Phys. Rev. 40, 749 (1932).
45. J. E. Moyal, Proc. Cambridge Philos. Soc. 45, 99 (1949).
46. M. Hillery, R. F. O'Connell, M. O. Scully, and E. P. Wigner, Phys. Rep. 106, 121 (1984).
47. E. J. Heller, J. Chem. Phys. 65, 1289 (1976).
48. M. J. Davis and E. J. Heller, J. Chem. Phys. 89, 5036 (1984).
49. M. Klessinger and J. Michl, Excited States and Photochemistry of Organic Molecules (VCH, New York, 1995).
50. G. C. Schau and M. A. Ratner, Quantum Mechanics in Chemistry (Prentice Hall, Englewood Cliffs, 1993).
51. R. K. Preston and J. C. Tully, J. Chem. Phys. 54, 4297 (1971).
52. M. F. Herman, J. Chem. Phys. 81, 754 (1984).
53. R. D. Levine and B. R. Bernstein, Molecular Reaction Dynamics and Chemical Reactivity (Oxford University Press, New York, 1987).
54. A. Szabo and N. S. Ostlund, Modern Quantum Chemistry (McGraw-Hill, New York, 1989).
55. F. Arickx, J. Broeckhove, E. Kesteloot, L. Lathouwers, and P. Van Leuven, Chem. Phys. Lett. 128, 310 (1986).
56. R. D. Coalson and M. Karplus, J. Chem. Phys. 93, 3919 (1990).
57. G. Herzberg, Molecular Spectra and Molecular Structure, Vol. 1, Spectra of Diatomic Molecules (Krieger, Malabar, 1989).
58. R. Kosloff, Annu. Rev. Phys. Chem. 45, 145 (1994).
59. G. Ashkenazi, R. Kosloff, S. Ruhman, and H. Tal-Ezer, J. Chem. Phys. 103, 10005 (1995).