Application of the time-independent wave packet reactant-product decoupling method to the (J = 0) Li + HF reaction

Journal of Physical Chemistry A

Volumn 102, Issue 47, 1998, Pages 9494-9499

  Althorpe, Stuart C ^a,c   Kouri, Donald J ^a   Hoffman, David K ^b  

^a University of Houston   (United States)

^b IOWA STATE UNIVERSITY   (United States)

^c NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0011693042     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp981992m     Document Type: Article

References (29)

1. Althorpe, S. C.; Kouri, D. J.; Hoffman, D. K. J. Chem. Phys. 1997, 107, 7816.
2. Seideman, T.; Miller, W. H. J. Chem. Phys. 1992, 97, 2499; for a wave packet version of this method see, Zhang, D. H.; Light, J. C. J. Chem. Phys. 1996, 104, 6184.
3. Seideman, T.; Miller, W. H. J. Chem. Phys. 1992, 97, 2499; for a wave packet version of this method see, Zhang, D. H.; Light, J. C. J. Chem. Phys. 1996, 104, 6184.
4. Neuhauser, D.; Baer, M. J. Chem. Phys. 1989, 90, 4351; Neuhauser, D.; Baer, M.; Judson, R. S.; Kouri, D. J. 1989, 90, 5882; Comput. Phys. Commun. 1990, 63, 460.
5. Neuhauser, D.; Baer, M. J. Chem. Phys. 1989, 90, 4351; Neuhauser, D.; Baer, M.; Judson, R. S.; Kouri, D. J. 1989, 90, 5882; Comput. Phys. Commun. 1990, 63, 460.
6. Neuhauser, D.; Baer, M. J. Chem. Phys. 1989, 90, 4351; Neuhauser, D.; Baer, M.; Judson, R. S.; Kouri, D. J. 1989, 90, 5882; Comput. Phys. Commun. 1990, 63, 460.
7. Peng, T.; Zhang, J. Z. H. J. Chem. Phys. 1996, 105, 6072; Zhu, W.; Peng, T.; Zhang, J. Z. H. J. Chem. Phys. 1997, 106, 1742.
8. Peng, T.; Zhang, J. Z. H. J. Chem. Phys. 1996, 105, 6072; Zhu, W.; Peng, T.; Zhang, J. Z. H. J. Chem. Phys. 1997, 106, 1742.
9. Kouri, D. J.; Hoffman, D. K.; Peng, T.; Zhang, J. H. Z. Chem. Phys. Lett. 1996, 262, 519.
10. For a general introduction to the TIW approach to quantum scattering see Kouri, D. J.; Hoffman, D. K. Few-Body Systems 1995, 18, 203, and Kouri, D. J.; Huang, Y.; Hoffman, D. K. In Dynamics of Molecules and Chemical Reactions; Wyatt, R. E., Zhang, J. Z. H., Eds.; Marcel Dekker Inc.: New York, 1996.
11. For a general introduction to the TIW approach to quantum scattering see Kouri, D. J.; Hoffman, D. K. Few-Body Systems 1995, 18, 203, and Kouri, D. J.; Huang, Y.; Hoffman, D. K. In Dynamics of Molecules and Chemical Reactions; Wyatt, R. E., Zhang, J. Z. H., Eds.; Marcel Dekker Inc.: New York, 1996.
12. Althorpe, S. C. Kouri, D. J.; Hoffman, D. K.; Zhang, J. Z. H. J. Chem. Soc., Faraday Trans. 1997, 93, 703.
13. Althorpe, S. C.; Kouri, D. J.; Hoffman, D. K. J. Chem. Phys. 1997, 106, 7629.
14. Althorpe, S. C.; Kouri, D. J.; Hoffman, D. K. Chem. Phys. Lett. 1997, 275, 173.
15. Tal-Ezer, H.; Kosloff, R. J. Chem. Phys. 1984, 81, 3967.
16. Gög̃tas, F.; Balint-Kurti, G. G.; Offer, A. R. J. Chem. Phys. 1996, 104, 7927.
17. Parker, G. A.; Pack, R.; Laganà, A. Chem. Phys. Lett. 1993, 202, 75; Parker, G. A.; Laganà, A.; Crocchianti, S.; Pack, R. T. J. Chem. Phys. 1995, 102, 1238.
18. Parker, G. A.; Pack, R.; Laganà, A. Chem. Phys. Lett. 1993, 202, 75; Parker, G. A.; Laganà, A.; Crocchianti, S.; Pack, R. T. J. Chem. Phys. 1995, 102, 1238.
19. qs is that it must prevent the wave packet from reaching the boundaries of the s region.
20. qs is taken to be real in this paper.
21. The energy-dependent factors in the Γ(E) potentials govern the form taken by the Chebyshev-like recursion relations - see ref 1 for details.
22. Hoffman, D. K.; Marchioro II, T. L.; Arnold, M.; Huang, Y.; Zhu, W.; Kouri, D. J. J. Math. Chem. 1996, 20, 117, and references therein.
23. Wei, G. W.; Althorpe, S. C.; Zhang, D. S.; Kouri, D. J.; Hoffman, D. K. Phys. Rev. A 1998, 57, 3309.
24. Wei, G. W.; Althorpe, S. C.; Kouri, D. J.; Hoffman, D. K. J. Chem. Phys. 1998, 108, 7065.
25. Bacic, Z.; Light, J. C. Annu. Rev. Phys. Chem. 1989, 40, 469.
26. Neuhauser, D. J. Chem. Phys. 1994, 100, 5076; Kroes, G.-J.; Wall, M. R.; Pang, J. W.; Neuhauser, D. J. Chem. Phys. 1997, 106, 1800.
27. Neuhauser, D. J. Chem. Phys. 1994, 100, 5076; Kroes, G.-J.; Wall, M. R.; Pang, J. W.; Neuhauser, D. J. Chem. Phys. 1997, 106, 1800.
28. Pack, R.; Parker, G. A. J. Chem. Phys. 1987, 87, 3888.
29. Pogrebnya, S. K.; Echave, J.; Clary, D. C. J. Chem. Phys. 1997, 107, 8975.