Simulation of vibrational dephasing of I 2 in solid Kr using the semiclassical Liouville method

Journal of Chemical Physics

Volumn 124, Issue 6, 2006, Pages

  Riga, Jeanne M ^a   Fredj, Erick ^b   Martens, Craig C ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b JERUSALEM COLLEGE OF TECHNOLOGY   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

RARE-GAS ENVIRONMENT; VIBRATIONAL COHERENCE;

KRYPTON; LATTICE CONSTANTS; OSCILLATORS (ELECTRONIC); VIBRATIONS (MECHANICAL);

IODINE COMPOUNDS;

IODINE; KRYPTON;

ALGORITHM; ARTICLE; CHEMISTRY; COMPUTER SIMULATION; FREEZING; QUANTUM THEORY; TIME; VIBRATION;

ALGORITHMS; COMPUTER SIMULATION; FREEZING; IODINE; KRYPTON; QUANTUM THEORY; TIME FACTORS; VIBRATION;

EID: 33750460739     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2162878     Document Type: Article

References (79)

1. J. B. Delos and W. R. Thorson, Phys. Rev. A 6, 709 (1972).
2. J. B. Delos and W. R. Thorson, Phys. Rev. A 6, 720 (1972).
3. J. B. Delos and W. R. Thorson, Phys. Rev. A 6, 728 (1972).
4. J. B. Delos and W. R. Thorson, Phys. Rev. Lett. 28, 647 (1972).
5. G. D. Billing, Chem. Phys. Lett. 30, 391 (1975).
6. D. J. Diestler, J. Chem. Phys. 78, 2240 (1983).
7. Z. Kirson, R. B. Gerber, A. Nitzan, and M. A. Ratner, Surf. Sci. 137, 527 (1984).
8. Z. Kirson, R. B. Gerber, A. Nitzan, and M. A. Ratner, Surf. Sci. 151, 531 (1985).
9. L. J. Dunne, J. N. Murrell, and J. G. Stamper, Chem. Phys. Lett. 112, 497 (1984).
10. S. I. Sawada, A. Nitzan, and H. Metiu, Phys. Rev. B 32, 851 (1985).
11. Z. Kotler, E. Neria, and A. Nitzan, Comput. Phys. Commun. 63, 243 (1991).
12. M. Amarouche, F. X. Gadea, and J. Durup, Chem. Phys. 130, 145 (1989).
13. D. A. Micha, J. Chem. Phys. 78, 7138 (1983).
14. W. H. Miller and C. W. McCurdy, J. Chem. Phys. 69, 5163 (1983).
15. H. D. Meyer and W. H. Miller, J. Chem. Phys. 70, 3214 (1979).
16. H. D. Meyer and W. H. Miller, J. Chem. Phys. 71, 2156 (1979).
17. H. D. Meyer and W. H. Miller, J. Chem. Phys. 72, 2272 (1980).
18. G. Stock and M. Thoss, Phys. Rev. Lett. 78, 578 (1997).
19. U. Muller and G. Stock, J. Chem. Phys. 107, 6230 (1997).
20. R. K. Preston and J. C. Tully, J. Chem. Phys. 54, 4297 (1971).
21. J. C. Tully and R. K. Preston, J. Chem. Phys. 55, 562 (1971).
22. J. C. Tully, J. Chem. Phys. 93, 1061 (1990).
23. S. Hammes-Schiffer and J. C. Tully, J. Chem. Phys. 101, 4657 (1994).
24. S. Hammes-Schiffer and J. C. Tully, J. Chem. Phys. 103, 8528 (1995).
25. D. F. Coker and L. Xiao, J. Chem. Phys. 102, 496 (1995).
26. F. Webster, P. J. Rossky, and R. A. Friesner, Comput. Phys. Commun. 63, 494 (1991).
27. F. Webster, J. Schnitker, M. S. Fredrichs, R. A. Friesner, and P. J. Rossky, Phys. Rev. Lett. 66, 3172 (1991).
28. F. Webster and E. T. Wang, J. Chem. Phys. 100, 4835 (1994).
29. D. F. Coker, Computer Simulation in Chemical Physics, Proceedings of the NATO Advanced Study Institute on New Perspectives in Computer Simulation in Chemical Physics (Kluwer, Dordrecht, 1993), pp. 315-377.
30. X. Sun and W. H. Miller, J. Chem. Phys. 106, 6346 (1997).
31. S. Xiong, W. Haobin, and W. H. Miller, J. Chem. Phys. 109, 7064 (1998).
32. X. Sun and W. H. Miller, J. Chem. Phys. 110, 6635 (1999).
33. T. J. Martinez, M. Ben-Nun, and G. Ashkenazi, J. Chem. Phys. 104, 2847 (1996).
34. T. J. Martinez, M. Ben-Nun, and R. D. Levine, J. Phys. Chem. 100, 7884 (1996).
35. T. J. Martinez, M. Ben-Nun, and R. D. Levine, J. Phys. Chem. 101, 6389 (1997).
36. M. Ben-Nun and T. J. Martinez, J. Chem. Phys. 108, 7244 (1998).
37. C. C. Martens and J. Y. Fang, J. Chem. Phys. 106, 4918 (1997).
38. A. Donoso and C. C. Martens, J. Phys. Chem. A 102, 4291 (1998).
39. A. Donoso and C. C. Martens, J. Chem. Phys. 112, 3980 (2000).
40. A. Donoso, D. Kohen, and C. C. Martens, J. Chem. Phys. 112, 7345 (2000).
41. A. Donoso and C. C. Martens, Int. J. Quantum Chem. 90, 1348 (2002).
42. J. M. Riga and C. C. Martens, J. Chem. Phys. 120, 6863 (2004).
43. E. Roman and C. C. Martens, J. Chem. Phys. 121, 11572 (2004).
44. J. M. Riga and C. C. Martens, Chem. Phys. (in press).
45. R. Kapral and G. Ciccotti, J. Chem. Phys. 110, 8919 (1999).
46. R. Kapral, J. Phys. Chem. A 105, 2885 (2001).
47. S. Nielsen, R. Kapral, and G. Ciccotti, J. Chem. Phys. 112, 6543 (2000).
48. D. M. Kernan, G. Ciccotti, and R. Kapral, J. Chem. Phys. 116, 2346 (2002).
49. C. C. Wan and J. Schofield, J. Chem. Phys. 112, 4447 (2000).
50. C. C. Wan and J. Schofield, J. Chem. Phys. 113, 7047 (2000).
51. C. C. Wan and J. Schofield, J. Chem. Phys. 116, 494 (2002).
52. K. Ando, Chem. Phys. Lett. 360, 240 (2002).
53. K. Ando and M. Santer, J. Chem. Phys. 118, 10399 (2003).
54. M. Santer, U. Manthe, and G. Stock, J. Chem. Phys. 114, 2001 (2001).
55. J. A. Poulsen, G. Nyman, and P. J. Rossky, J. Chem. Phys. 119, 12179 (2003).
56. J. A. Poulsen, G. Nyman, and P. J. Rossky, J. Phys. Chem. A 108, 8743 (2004).
57. Q. Shi and E. Geva, J. Chem. Phys. 118, 8173 (2003).
58. Q. Shi and E. Geva, J. Phys. Chem. A 107, 9059 (2003).
59. Q. Shi and E. Geva, J. Chem. Phys. 120, 10647 (2004).
60. Q. Shi and E. Geva, J. Phys. Chem. A 108, 6109 (2004).
61. S. Causo, G. Ciccotti, D. Montemayor, S. Bonella, and D. F. Coker, J. Phys. Chem. B 109, 6855 (2005).
62. S. Bonella and D. F. Coker, J. Chem. Phys. 122, 194102 (2005).
63. S. Bonella and D. F. Coker, Proc. Natl. Acad. Sci. U.S.A. 102, 6715 (2005).
64. S. Bonella and D. F. Coker, Comput. Phys. Commun. 169, 267 (2005).
65. M. Karavitis, T. Kumada, I. U. Goldschleger, and V. A. Apkarian, Phys. Chem. Chem. Phys. 7, 791 (2005).
66. J. M. Riga, E. Fredj, and C. C. Martens, J. Chem. Phys. 122, 174107 (2005).
67. D. A. McQuarrie, Statistical Mechanics (HarperCollins, New York, 1976).
68. S. Mukamel, Principles of Nonlinear Optical Spectroscopy (Oxford University Press, Oxford, 1995).
69. M. Hillery, R. F. O'Connell, M. O. Scully, and E. P. Wigner, Phys. Rep. 106, 12 (1984).
70. H. W. Lee, Phys. Rep. 259, 147 (1995).
71. K. Takahashi, Prog. Theor. Phys. Suppl. 98, 109 (1989).
72. M. Born and K. Huang, Dynamical Theory of Crystal Lattices (Oxford University Press, Oxford, 1954).
73. G. C. Schatz and M. A. Ratner, Quantum Mechanics in Chemistry (Prentice Hall, Englewood Cliffs, 1993).
74. C. Cohen-Tannoudji, B. Diu, and F. Laloe, Quantum Mechanics (Wiley, New York, 1977).
75. R. B. Shirts, J. Phys. Chem. 91, 2258 (1987).
76. M. Karavitis and V. A. Apkarian, J. Chem. Phys. 120, 292 (2004).
77. R. Zadoyan, Z. Li, C. C. Martens, and V. A. Apkarian, J. Chem. Phys. 101, 6648 (1994).
78. J. P. Bergsma, P. H. Berens, K. R. Wilson, D. R. Fredkin, and E. J. Heller, J. Phys. Chem. 88, 612 (1984).
79. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).