Nonadiabatic molecular dynamics simulation of ultrafast pump-probe experiments on I2 in solid rare gases

Journal of Chemical Physics

Volumn 106, Issue 17, 1997, Pages 6923-6941

  Batista, V S ^a,c   Coker, D F ^a,b  

^a USA   (United States)

^b UNIVERSITÉ DE LYON   (France)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000884697     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473717     Document Type: Article

References (78)

1. V. S. Batista and D. F. Coker, J. Chem. Phys. 105, 4033 (1996).
2. I. NoorBatcha, L. M. Raff, and D. L. Thompson, J. Chem. Phys. 81 (1984).
3. Y. J. Yan, R. M. Whitnell, K. R. Wilson, and A. H. Zewail, Chem. Phys. Lett. 193 (1992).
4. J. Che, M. Messina, K. R. Wilson, V. A. Apkarian, Z. Li, C. C. Martens, and R. Zadoyan, J. Phys. Chem. 100 (1996).
5. M. Ben-Num, R. D. Levine, D. M. Jonas, and G. R. Fleming, Chem. Phys. Lett. 245, 629 (1995).
6. M. Ben-Num and R. D. Levine, Chem. Phys. 201, 163 (1995).
7. M. Ben-Num, R. D. Levine, and G. R. Fleming, J. Chem. Phys. 105, 3035 (1996).
8. M. Macler, J.-P. Nicolai, and M. C. Heaven, J. Chem, Phys. 91, 674 (1989).
9. M. Macler and M. C. Heaven, Chem. Phys. 151, 219 (1991).
10. S. Hei, X. Zheng, M. C. Heaven, and J. Tellinghuisen, J. Chem. Phys. 97, 6057 (1992).
11. Q. Liu, J. K. Wang, and A. H. Zewail, Nature 364, 427 (1993).
12. J. A. Beswick, R. Monot, J. M. Philippoz, and H. van den Bergh, J. Chem. Phys. 86, 3965 (1987).
13. O. Roncero, N. Halberstadt, and J. A. Beswick, in Reaction Dynamics in Clusters and Condensed Phases, edited by J. Jortner et al. (Kluwer Academic, Dordrecht, 1994), pp. 73-87.
14. P. B. Beeken, E. A. Hanson, and G. W. Flynn, J. Chem. Phys. 78, 5892 (1983).
15. R. Zadoyan, Z. Li, C. C. Martens, and V. A. Apkarian, J. Chem. Phys. 101, 6648 (1994):
16. N. Schwentner, M. Chergui, H. Kunz, and J. McCaffrey, in Reaction Dynamics in Clusters and Condensed Phases, edited by J. Jortner et al. (Kluwer Academic, Dordrecht, 1994), pp. 521-537.
17. A. L. Harris, J. K. Brown, and C. B. Harris, Ann. Rev. Chem. 39, 341 (1988).
18. A. L. Harris, M. Berg, and C. B. Harris, J. Chem. Phys 84, 788 (1986).
19. M. Berg, A. L. Harris, and C. B. Harris, Phys. Rev. Lett. 54, 951 (1985).
20. D. E. Smith and C. B. Harris, J. Chem. Phys 87, 2709 (1987).
21. M. E. Paige and C. B. Harris, Chem. Phys 149, 37 (1990).
22. M. E. Paige and C. B. Harris, J. Chem. Phys 93, 1481 (1990).
23. N. F. Scherer, L. D. Ziegler, and G. R. Fleming, J. Chem. Phys. 96, 5544 (1992).
24. N. F. Scherer, D. M. Jonas, and G. R. Fleming, J. Chem. Phys. 99, 153 (1993).
25. C. Lienau and A. H. Zewail, J. Chim. Phys. 92, 566 (1995).
26. C. Lienau, J. C, Williamson, and A. H. Zewail, Chem. Phys. Lett. 213, 289 (1993).
27. C. Lienau and A. H. Zewail, Chem. Phys. Lett. 218, 224 (1994).
28. Q. Liu and A. H. Zewail, Chem. Phys. Lett. 218, 224 (1994).
29. Q. Liu, C. Wan, and A. H. Zewail, J. Chem. Phys. 105, 5294 (1996).
30. P. Y. Cheng, D. Zhong, and A. H. Zewail, J. Chem. Phys. 105, 6216 (1996).
31. I. H. Gersonde and H. Gabriel, J. Chem. Phys. 98, 2094 (1993).
32. A. I. Krylov, R. B. Gerber, and V. A. Apkarian, Phys. Chem. 189, 261 (1994).
33. A. I. Krylov and R. B. Gerber, Chem. Phys. Lett. 231, 395 (1994).
34. I. Last and T. F. George, J. Chem. Phys. 87, 1183 (1987).
35. I. Last, T. F. George, M. E. Fajardo, and V. A. Apkarian, J. Chem. Phys. 87, 5917 (1987).
36. I. Last and T. F. George, J. Chem. Phys. 89, 3071 (1988).
37. A. A. Buchachenko and N. F. Stepanov, J. Chem. Phys. 104, 9913 (1996).
38. J. C. Tully, J. Chem. Phys. 93, 1061 (1990).
39. F. Webster, P. J. Rossky, and R. A. Friesner, Comp. Phys. Comm. 63, 494 (1991).
40. S. Hammes-Schiffer and J. C. Tully, J. Chem. Phys. 101, 4657 (1994).
41. D. F. Coker and L. Xiao, J. Chem. Phys. 102, 496 (1995).
42. Z. Li, R. Zadoyan, V. A. Apkarian, and C. C. Martens, J. Phys. Chem. 99, 7453 (1995).
43. W. G. Lawrence and V. A. Apkarian, J. Chem. Phys. 101, 1820 (1994).
44. R. Zadoyan, Z. Li, P. Ashjian, C. C. Martens, and V. A. Apkarian, Chem. Phys. Lett. 218, 504 (1994).
45. R. Zadoyan, M. Sterling, and V. A. Apkarian, J. Chem. Soc. Faraday Trans. 92, 1821 (1996).
46. J. K. Brown, C. B. Harris, and J. C. Tully, J. Chem. Phys. 89, 6687 (1988).
47. D. P. Ali and W. H. Miller, J. Chem. Phys. 78, 6640 (1983).
48. D. P. Ali and W. H. Miller, Chem. Phys. Lett. 105, 501 (1984).
49. R. Boling, J. Langen, and U. Schurath, Chem. Phys. 130, 419 (1989).
50. F. O. Ellison, J. Am. Chem. Soc. 85, 3540 (1963).
51. F. O. Ellison and J. C. Patel, J. Am. Chem. Soc. 85, 3544 (1963).
52. F. O. Ellison and J. C. Patel, J. Am. Chem. Soc. 86, 2115 (1963).
53. J. C. D. Brand and A. R. Hoy, Appl. Spectros. Rev. 23, 285 (1987).
54. J. Chevaleyre, J. P. Perrot, J. M. Chastan, S. Valignat, and M. Broyer, Chem. Phys. 67, 59 (1982).
55. J. Tellinghuisen, J. Chem. Phys. 78, 2374 (1983).
56. D. L. Rousseau and P. F. Williams, Phys. Rev. Lett. 33, 1368 (1974).
57. J. Tellinghuisen, M. R. McKeever, and A. Sur, J. Mol. Spectros. 82, 225 (1980).
58. J. Tellinghuisen, Can. J. Phys. 62, 1933 (1984).
59. J. Tellinghuisen, J. Mol. Spectrosc. 94, 231 (1982).
60. K. S. Viswanathan and J. Tellinghuisen, J. Mol. Spectrosc. 101, 285 (1983).
61. J. P. Perrot, M. Broyer, J. Chevaleyre, and B. Femelat, J. Mol. Spectros. 98, 161 (1983).
62. M. L. Nowlin and M. C. Heaven, Chem. Phys. Lett. 239, 1 (1995). Parameters calculated from the RKR potential energy curve obtained from the authors on request.
63. J. C. D. Brand, A. R. Hoy, A. K. Kalkar, and A. B. Yamashita, J. Mol. Spectros. 95, 350 (1982).
64. G. W. King, I. M Littlewood, and J. R. Robins, Chem. Phys. 56, 145 (1981).
65. J. C. D. Brand and A. R. Hoy, J. Mol. Spectros. 97, 379 (1983).
66. K. S. Viswanathan, A. Sur, and J. Tellinghuisen, J. Mol. Spectrosc. 86, 393 (1981).
67. 67 J.C. Tully, Semiempirical Methods of Electronic Structure Calculation, Part A: Techniques, edited by G. A. Segal (Plenum, New York, 1977).
68. E. S. Rittner, J. Chem. Phys. 19, 1030 (1951).
69. P. Brumer and M. Karplus, J. Chem. Phys. 58, 3903 (1973).
70. C. H. Becker, P. Casavecchia, and Y. T. Lee, J. Chem. Phys. 70, 5477 (1979).
71. Y. Zhao, I Yourshaw, G. Reiser, C. C. Arnold, and D. M. Neumark, J. Chem. Phys. 101, 6538 (1994). MMSV potential contructed from Eqs. (1),(2),(4)-(6), and parameters presented in Table VII.
72. E. L. Pollock and B. J. Alder, Phys. Rev. Lett. 41, 903 (1978).
73. C. J. F. Bottcher, Theory of Electric Polarization, edited by Z. B. Maksic (Elsevier, Amsterdam, 1952).
74. J. Applequist, J. R. Carl, and K-K. Fung, J. Am. Chem. Soc. 94, 2953 (1972).
75. A. S. Goldstein and H. Jonsson, Phil. Mag. B 41, 903 (1995).
76. A. L. Guy, A. Sur, K. S. Viswanathan, and J. Tellinghuisen, Chem. Phys. Lett. 73, 582 (1980).
77. J. Tellinghuisen, Phys. Rev. Lett. 34, 1137 (1975).
78. J. Tellinghuisen, Chem. Phys. Lett. 29, 359 (1974).