Multidimensional reactive scattering with quantum trajectories: Dynamics with Morse vibrational modes

Journal of Chemical Physics

Volumn 125, Issue 6, 2006, Pages

  Babyuk, Dmytro ^a   Wyatt, Robert E ^a  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MORSE VIBRATIONAL MODES; NUMERICAL INTEGRATION; QUANTUM TRAJECTORIES;

EQUATIONS OF MOTION; INTEGRATION; LIGHT SCATTERING; MOLECULAR VIBRATIONS; NONLINEAR EQUATIONS; NUMERICAL METHODS; PROBABILITY;

QUANTUM THEORY;

EID: 33747300512     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2218335     Document Type: Article

References (38)

1. S. C. Althorpe and D. C. Clary, Annu. Rev. Phys. Chem. 54, 493 (2003).
2. B. K. Kendrick, J. Chem. Phys. 118, 10502 (2003).
3. B. K. Kendrick, J. Chem. Phys. 114, 8796 (2001).
4. B. K. Kendrick, L. Jayasinghe, S. Moser, M. Auzinsh, and N. Shafer-Ray, Phys. Rev. Lett. 84, 4325 (2000).
5. J. M. Bowman, J. Phys. Chem. 95, 4960 (1991).
6. D. C. Clary, J. Phys. Chem. 98, 10678 (1994).
7. J. Palma and D. C. Clary, J. Chem. Phys. 115, 2188 (2001).
8. J. Rheinecker, T. Xie, and J. M. Bowman, J. Chem. Phys. 120, 7018 (2004).
9. J. Z. H. Zhang, Theory and Application of Quantum Molecular Reaction Dynamics (World Scientific, Singapore, 1999).
10. J. C. Juanes-Marcos and S. C. Althorpe, J. Chem. Phys. 122, 204324 (2005).
11. K. Kosinowski, N. T. Goldberg, A. E. Pomerantz, R. N. Zare, J. C. Juanes-Marcos, and S. C. Althorpe, J. Chem. Phys. 123, 054306 (2005).
12. D. H. Zhang and J. C. Light, J. Chem. Phys. 106, 551 (1997).
13. E. M. Goldfield and S. K. Gray, J. Chem. Phys. 117, 1604 (2002).
14. Y. He, E. M. Goldfield, and S. K. Gray, J. Chem. Phys. 121, 823 (2004).
15. J. Z. H. Zhang, J. Q. Dai, and W. Zhu, J. Phys. Chem. A 101, 2746 (1997).
16. D. H. Zhang and S. Y. Lee, J. Chem. Phys. 109, 2708 (1998).
17. D. H. Zhang, M. A. Collins, and S. Y. Lee, Science 290, 961 (2000).
18. M. H. Yang, D. H. Zhang, M. A. Collins, and S. Y. Lee, J. Chem. Phys. 114, 4759 (2001).
19. H.-D. Meyer, U. Manthe, and L. S. Cederbaum, Chem. Phys. Lett. 165, 73 (1990).
20. U. Manthe, H. D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 97, 3199 (1992).
21. M. H. Beck, A. Jackle, G. A. Worth, and H. D. Meyer, Phys. Rep. 324, 1 (2000).
22. T. Wu, H-J. Werner, and U. Manthe, J. Chem. Phys. 124, 164307 (2006).
23. T. Wu and U. Manthe, J. Chem. Phys. 119, 14 (2003).
24. G. Worth, H. D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 109, 3518 (1998).
25. H. Wang, J. Chem. Phys. 113, 9948 (2000).
26. R. E. Wyatt, J. Chem. Phys. 111, 4406 (1999).
27. R. E. Wyatt and D. Babyuk, Phys. Rev. E 73, 046701 (2006).
28. D. Babyuk and R. E. Wyatt, J. Chem. Phys. 124, 214109 (2006).
29. R. E. Wyatt and D. Babyuk, J. Chem. Phys. (submitted).
30. W. H. Miller, N. C. Handy, and J. E. Adams, J. Chem. Phys. 72, 99 (1980).
31. R. E. Wyatt, Quantum Dynamics with Trajectories: Introduction to Quantum Hydrodynamics (Springer, New York, 2005), pp. 34-35.
32. D. Babyuk and R. E. Wyatt, J. Chem. Phys. 121, 9230 (2004).
33. D. Babyuk and R. E. Wyatt, Chem. Phys. Lett. 400, 145 (2004).
34. S. Garashchuk and V. Rassolov, J. Chem. Phys. 118, 2482 (2003).
35. W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling, Numerical Recipes in Fortran (Cambridge University Press, Cambridge, 1992), pp. 310-312.
36. R. A. Marcus, J. Chem. Phys. 45, 4493, 4500 (1966).
37. V. Rassolov, S. Garashchuk, and G. Schatz, J. Phys. Chem. A 110, 5530 (2006).
38. D. Babyuk and R. E. Wyatt (unpublished).