A quantum symmetry preserving semiclassical method

Journal of Chemical Physics

Volumn 117, Issue 19, 2002, Pages 8613-8622

  Babikov, Dmitri ^a   Walker, Robert B ^a   Pack, Russell T ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EIGENVALUES AND EIGENFUNCTIONS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; NEON; QUANTUM THEORY; SCATTERING;

CENTRIFUGAL BARRIER; EIGENSTATES; GAUSSIAN WAVE PACKETS; QUASIBOUND; SEMICLASSICAL METHOD; WAVE FUNCTIONS;

MOLECULAR PHYSICS;

EID: 0037113249     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1513457     Document Type: Article

References (57)

1. E. J. Heller, J. Chem. Phys. 57, 2923 (1981).
2. M. F. Herman and E. Kluk, Chem. Phys. 91, 27 (1984).
3. E. Kluk, M. F. Herman, and H. L. Davis, J. Chem. Phys. 84, 326 (1986).
4. M. F. Herman, J. Chem. Phys. 85, 2069 (1986).
5. M. F. Herman, Chem. Phys. Lett. 275, 445 (1997).
6. B. E. Guerin and M. F. Herman, Chem. Phys. Lett. 286, 361 (1998).
7. M. F. Herman and D. F. Coker, J. Chem. Phys. 111, 1801 (1999).
8. A. R. Walton and D. E. Manolopoulos, Chem. Phys. Lett. 244, 448 (1995).
9. A. R. Walton and D. E. Manolopoulos, Mol. Phys. 87, 961 (1996).
10. M. L. Brewer, J. S. Hulme, and D. E. Manolopoulos, J. Chem. Phys. 106, 4832 (1997).
11. V. S. Batista and W. H. Miller, J. Chem. Phys. 108, 498 (1997).
12. H. Wang, D. E. Manolopoulos, and W. H. Miller, J. Chem. Phys. 115, 6317 (2001).
13. F. Grossmann, Phys. Rev. A 57, 3256 (1998).
14. F. Grossmann and A. L. Xavier, Jr., Phys. Lett. A 243, 243 (1998).
15. K. G. Kay, J. Chem. Phys. 100, 4377 (1993).
16. K. G. Kay, J. Chem. Phys. 100, 4432 (1994).
17. K. G. Kay, J. Chem. Phys. 101, 2250 (1994).
18. D. Zor and K. G. Kay, Phys. Rev. Lett. 76, 1990 (1996).
19. M. Madhusoodanan and K. G. Kay, J. Chem. Phys. 109, 2644 (1998).
20. Y. Elran and K. G. Kay, J. Chem. Phys. 114, 4362 (2001).
21. D. V. Shalashilin and M. S. Child, J. Chem. Phys. 113, 10028 (2000).
22. D. V. Shalashilin and M. S. Child, J. Chem. Phys. 115, 5367 (2001).
23. D. V. Shalashilin and M. S. Child, J. Chem. Phys. 114, 9296 (2001).
24. D. V. Shalashilin and M. S. Child, J. Chem. Phys. (unpublished).
25. C. W. McCurdy and W. H. Miller, J. Chem. Phys. 67, 463 (1977).
26. M. H. Thiemens, Science 283, 341 (1999).
27. K. Mauersberger, B. Erbacher, D. Krankowsky, J. Gunther, and R. Nickel, Science 283, 370 (1999).
28. Y. Q. Gao and R. A. Marcus, Science 293, 259 (2001)
29. Y. Q. Gao and R. A. Marcus, Science 294, 951a (2001).
30. Y. Q. Gao and R. A. Marcus, J. Chem. Phys. 116, 137 (2002).
31. C. Janssen, J. Guenther, K. Mauersberger, and D. Kranowsky, Phys. Chem. Chem. Phys. 3, 4718 (2001).
32. A. Gross and G. D. Billing, Chem. Phys. 217, 1 (1997).
33. E. A. Coronado, V. S. Batista, and W. H. Miller, J. Chem. Phys. 112, 5566 (2000).
34. K. G. Kay, J. Chem. Phys. 107, 2313 (1997).
35. M. Thoss, W. H. Miller, and G. Stock, J. Chem. Phys. 112, 10282 (2000).
36. V. Guallar, V. S. Batista, and W. H. Miller, J. Chem. Phys. 113, 9510 (2000).
37. V. Gualar, V. S. Batista, and W. H. Miller, J. Chem. Phys. 110, 9922 (1999).
38. R. Gelabert, X. Gimenez, M. Thoss, H. Wang, and W. H. Miller, J. Chem. Phys. 114, 2572 (2001).
39. H. Wang, M. Thoss, K. L. Sorge, R. Gelabert, X. Gimenez, and W. H. Miller, J. Chem. Phys. 114, 2562 (2001).
40. A. J. C. Varandas, A. A. C. C. Pais, J. M. C. Marques and W. Wang, Chem. Phys. Lett. 249, 264 (1996).
41. R. T Pack, R. B. Walker, and B. K. Kendrick, J. Chem. Phys. 109, 6701 (1998).
42. R. T Pack, R. B. Walker, and B. K. Kendrick, J. Chem. Phys. 109, 6714 (1998).
43. See, for example, Refs. 18-22 in Ref. 40.
44. D. Babikov, F. Aguillon, M. Sizun, and V. Sidis, Phys. Rev. A 59, 330 (1999).
45. G. Drolshagen and E. J. Heller, J. Chem. Phys. 82, 226 (1985).
46. J. R. Reimers and E. J. Heller, J. Chem. Phys. 83, 511 (1985).
47. J. R. Reimers and E. J. Heller, J. Chem. Phys. 83, 516 (1985).
48. N. E. Henriksen and E. J. Heller, Chem. Phys. Lett. 148, 567 (1988)
49. N. E. Henriksen and E. J. Heller, Chem Phys. Lett. 148, 567 (1988).
50. D. J. Tannor and D. E. Weeks, J. Chem. Phys. 98, 3884 (1993).
51. S. Garashchuk, Chem. Phys. Lett. 262, 477 (1996).
52. S. Garashchuk and D. J. Tannor, J. Chem. Phys. 110, 2761 (1999).
53. S. Garashchuk and J. C. Light, J. Chem. Phys. 114, 1060 (2001).
54. M. Thoss, H. Wang, and W. H. Miller, J. Chem. Phys. 114, 9220 (2001).
55. G. Herzberg, F. R. S., in Molecular Spectra and Molecular Structure, 2nd ed. (Van Nostrand, New York, 1950), Vol. I, Spectra of Diatomic Molecules, Chap. I, p. 17.
56. M. S. Child, in Molecular Collision Theory, edited by D. P. Craig and R. McWeeny (Academic, London, 1974), Chap. 8, p. 143.
57. See EPAPS Document No. E-JCPSA6-117-004243 for complete state-to-state cross section matrixes, calculated using VRIOSA and semiclassical methods. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.