Wavepacket propagation for reactive scattering using real L2 eigenfunctions with damping

Physical Chemistry Chemical Physics

Volumn 2, Issue 4, 2000, Pages 495-500

  Skokov, Sergei ^a   Bowman, Joel M ^a  

^a EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTIC METHOD; ARTICLE; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; REACTION ANALYSIS; WAVEFORM;

EID: 0034652559     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/a907983a     Document Type: Article

References (33)

1. 1 D. H. Zhang and J. Z. H. Zhang, in Dynamics of Molecular and Chemical Reactions, ed. R. E. Wyatt and J. Z. H. Zhang, Marcel Dekker, New York, 1996.
2. 2 R. Kosloff, in Dynamics of Molecular and Chemical Reactions, ed. R. E. Wyatt and J. Z. H. Zhang, Marcel Dekker, New York, 1996.
3. 3 M. D. Feit, J. A. Fleck and A. Steinger, J. Comput. Phys., 1982, 47, 412.
4. 4 V. A. Mandelshtam and H. S. Taylor, J. Chem. Phys., 1995, 103, 2903.
5. 5 R. Chen and H. Guo, J. Chem. Phys., 1996, 105, 3569.
6. 6 S. K. Gray and G. G. Balint-Kurti, J. Chem. Phys., 1998, 108, 950.
7. 7 For use in wavepacket applications see R. Kosloff and D. Kosloff, J. Comput. Phys., 1986, 63, 363.
8. 8 D. Neuhauser, M. Baer, R. S. Judson and D. J. Kouri, Comput. Phys. Commun., 1991, 63, 460.
9. 9 See, for example, V. A. Mandelshtam and H. S. Taylor, in Dynamics of Molecular and Chemical Reactions, ed. R. E. Wyatt and J. Z. H. Zhang, Marcel Dekker, New York, 1996, and references therein.
10. 10 H. W. Jang and J. C. Light, J. Chem. Phys., 1995, 102, 3262.
11. 11 D. J. Kouri, Y. Huang and D. K. Hoffman, in Dynamics of Molecular and Chemical Reactions, ed. R. E. Wyatt and J. Z. H. Zhang, Marcel Dekker, New York, 1996.
12. 12 R. E. Wyatt, Chem. Phys. Lett., 1985, 121, 301.
13. 13 F. L. Quere and C. Leforestier, J. Chem. Phys., 1991, 94, 1118.
14. 14 G. Jolicard, C. Leforestier and E. J. Austin, J. Chem. Phys., 1988, 88, 1026.
15. 15 J. M. Bowman, J. Phys. Chem., 1998, 102, 3006.
16. 16 R. Mayrhofer and J. M. Bowman, J. Chem. Phys., 1994, 100, 7229.
17. 17 R. Mayrhofer and J. M. Bowman, J. Chem. Phys., 1995, 102, 5598.
18. 18 N. Rom, J. W. Pang and D. Neuhauser, J. Chem. Phys., 1996, 105, 10436.
19. 19 D. J. Tannor and D. E. Weeks, J. Chem. Phys., 1993, 98, 3884.
20. 20 D. J. Kouri, Y. Huang, W. Zhu and D. K. Hoffman, J. Chem. Phys., 1994, 100, 3662.
21. 21 N. Moiseyev, R. A. Friesner and R. E. Wyatt, J. Chem. Phys., 1986, 85, 1986.
22. 22 V. A. Mandelshtam, J. Chem. Phys., 1998, 108, 9999.
23. 23 G. G. Balint-Kurti, R. N. Dixon and C. C. Martson, J. Chem. Soc., Faraday Trans., 1990, 86, 1741.
24. 24 D. Neuhauser, Chem. Phys. Lett., 1992, 200, 173.
25. 25 J. H. M. Meijer, E. M. Goldfield, S. K. Gray and G. G. Balint-Kurti, Chem. Phys. Lett., 1998, 293, 270.
26. 26 D. T. Colbert and W. H. Miller, J. Chem. Phys., 1991, 96, 1982.
27. 27 J. M. Bowman, Chem. Phys. Lett., 1991, 180, 249.
28. 28 S. Skokov, J. Qi, J. M. Bowman, C.-Y. Yang, S. K. Gray, K. A. Peterson and V. A. Mandelshtam, J. Chem. Phys., 1998, 109, 10273.
29. 29 J. Echave and D. C. Clary, Chem. Phys. Lett., 1992, 190, 225.
30. 30 P. Siegbahn and B. Liu, J. Chem. Phys., 1978, 68, 2457.
31. 31 D. G. Truhlar and C. J. Horowitz, J. Chem. Phys., 1978, 68, 2466.
32. 32 J. Z. H. Zhang, personal communications.
33. 33 J. Z. H. Zhang and W. H. Miller, J. Chem. Phys., 1989, 91, 1528.