Nonadiabatic molecular dynamics simulation of photodissociation and geminate recombination of I2 liquid xenon

Journal of Chemical Physics

Volumn 105, Issue 10, 1996, Pages 4033-4054

  Batista, V S ^a   Coker, D F ^a  

^a Boston University ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001317557     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472277     Document Type: Article

References (127)

1. A.L. Harris, J.K. Brown, and C.B. Harris, Annu. Rev. Chem. 39, 341 (1988).
2. R. M. Bowman, M. Dantus, and A. H. Zewail, Chem. Phys. Lett. 161, 297 (1989).
3. M. Dantus, R. M. Bowman, and A. H. Zewail, Nature 343, 737 (1990).
4. M. Grubele, G. Roberts, M. Dantus, R. M. Bowman, and A. H. Zewail, Chem. Phys. Lett. 166, 321 (1990).
5. M. Grubele and A. H. Zewail, J. Chem. Phys. 98, 894 (1993).
6. G.A. Capelle and H.P. Broida, J. Chem. Phys. 58, 4212 (1973).
7. N. F. Scherer, D. M. Jonas, and G. R. Fleming, J. Chem. Phys. 99, 153 (1993).
8. N.F. Scherer, L.D. Ziegler, and G.R. Fleming, J. Chem. Phys. 96, 5544 (1992).
9. A.L. Harris, M. Berg, and C.B. Harris, J. Chem. Phys. 84, 788 (1986).
10. D.E. Smith and C.B. Harris, J. Chem. Phys. 87, 2709 (1987).
11. M.E. Paige and C.B. Harris, Chem. Phys. 149, 37 (1990).
12. D.F. Kelly, N.A. Abul-Haj, and D.J. Jang, J. Chem. Phys. 80, 4105 (1984).
13. N.A. Abul-Haj and D.F. Kelly, J. Chem. Phys. 84, 1335 (1986).
14. N.A. Abul-Haj and D.F. Kelly, Chem. Phys. Lett. 119, 182 (1985).
15. C. Lienau and A.H. Zewail, J. Chim. Phys. 92, 566 (1995).
16. E.D. Potter, Q. Liu, and A.H. Zewail, Chem. Phys. Lett. 200, 605 (1992).
17. Q. Liu, J.K. Wang, and A.H. Zewail, Nature 364, 427 (1993).
18. C. Lienau, J.C. Williamson, and A.H. Zewail, Chem. Phys. Lett. 213, 289 (1993).
19. C. Lienau and A.H. Zewail, Chem. Phys. Lett. 218, 224 (1994).
20. M.E. Paige and C.B. Harris, J. Chem. Phys. 93, 1481 (1990).
21. X. Xu, S. Yu, R. Lingle, H. Zhu, and J.B. Hopkins, J. Chem. Phys. 95, 2445 (1991).
22. D. Nesbitt and J.T. Hynes, J. Chem. Phys. 77, 2130 (1982).
23. P. Bado, C. Dupuy, D. Magde, K.R. Wilson, and M.M. Malloy, J. Chem. Phys. 80, 5531 (1984).
24. P. Bado and K.R. Wilson, J. Phys. Chem. 88, 655 (1984).
25. A.H. Lipkus, P.P. Buff, and M.G. Sceats, J. Phys. Chem. 79, 4830 (1983).
26. C.L. Brooks and S.A. Adelman, J. Phys. Chem. 80, 5598 (1984).
27. R.H. Stole and S.A. Adelman, J. Phys. Chem. 88, 4415 (1988).
28. D.J. Russell and C.B. Harris, Chem. Phys. 183, 325 (1994).
29. J.K. Brown, C.B. Harris, and J.C. Tully, J. Chem. Phys. 89, 6687 (1988).
30. J.K. Brown, D.J. Russell, D.E. Smith, and C.B. Harris, Phys. Rev. Appl. 22, 1787 (1987).
31. D.L. Bunker and B.S. Jacobson, J. Am. Chem. Soc. 94, 1843 (1972).
32. J.N. Murrell, A.J. Stace, and R. Dammell, J. Chem. Soc. Faraday Trans. 274, 1532 (1978).
33. J.T. Hynes, R. Kapral, and G.M. Tome, J. Chem. Phys. 72, 177 (1980).
34. M. Schell and R. Kapral, Chem. Phys. Lett. 81, 83 (1981).
35. B. Martire and R.G. Gilbert, Chem. Phys. 56, 241 (1981).
36. D.P. Ali and W.H. Miller, J. Chem. Phys. 78, 6640 (1983).
37. D.P. Ali and W.H. Miller, Chem. Phys. Lett. 105, 501 (1984).
38. J.M. Dawes and M.G. Sceats, Chem. Phys. 96, 315 (1985).
39. M.G. Sceats, Chem. Phys. 96, 299 (1985).
40. W. Wang, K.A. Nelson, L. Xiao, and D.F. Coker, J. Chem. Phys. 101, 9663 (1994).
41. J.C. Tully and R.K. Preston, J. Chem. Phys. 55, 562 (1971).
42. J.C. Tully, in Dynamics on Molecular Collisions, Part B, edited by W. H. Miller (Plenum, New York, 1976), p. 217.
43. J.C. Tully, J. Chem. Phys. 93, 1061 (1990).
44. J.C. Tully, Int. J. Quant. Chem. 25, 299 (1991).
45. S. Hammes-Schiffer and J.C. Tully, J. Chem. Phys. 101, 4657 (1994).
46. S. Hammes-Schiffer and J.C. Tully, J. Chem. Phys. 103, 8528 (1995).
47. F. Webster, P.J. Rossky, and R.A. Friesner, Comp. Phys. Comm. 63, 494 (1991).
48. F.J. Webster, E.T. Tang, P.J. Rossky, and R.A. Friesner, J. Chem. Phys. 100, 4835 (1994).
49. P.J. Kuntz, J. Chem. Phys. 95, 141 (1991).
50. P.J. Kuntz and J.J. Hogreve, J. Chem. Phys. 95, 156 (1991).
51. R. E. Cline and P. G. Wolynes, J. Chem. Phys. 86, 3836 (1987).
52. J. R. Stine and J. T. Muckerman, J. Phys. Chem. 91, 459 (1987).
53. J. R. Stine and J. T. Muckerman, J. Chem. Phys. 65, 3975 (1976).
54. J. R. Stine and J. T. Muckerman, J. Chem. Phys. 68, 185 (1978).
55. N. C. Biais and D. G. Truhlar, J. Chem. Phys. 79, 1334 (1983).
56. N. C. Biais, D. G. Truhlar, and C. A. Mead, J. Chem. Phys. 89, 6204 (1988).
57. W.H. Miller and F.F. George, J. Chem. Phys. 56, 5637 (1972).
58. A. Warshel, J. Phys. Chem. 86, 2218 (1982).
59. A. Warshel and J-K. Hwang, J. Chem. Phys. 84, 4938 (1986).
60. A. Warshel and J-K. Hwang, J. Chem. Phys. 82, 1756 (1985).
61. A. Warshel and W.W. Parson, Ann. Rev. Phys. Chem. 42, 279 (1991).
62. D. Thirumalai, E.J. Bruskin, and B.J. Berne, J. Chem. Phys. 83, 230 (1985).
63. M. F. Herman and E. Kluk, in Dynamical Processes in Condensed Matter, edited by M. W. Evans (Wiley, New York, 1985), p. 577.
64. M. F. Herman, J. Chem. Phys. 81, 754 (1984).
65. M. F. Herman, J. Chem. Phys. 81, 764 (1984).
66. M. F. Herman, J. Chem. Phys. 87, 4779 (1987).
67. M. F. Herman, J. Chem. Phys. 103, 8081 (1995).
68. D.F. Coker, in Computer Simulation in Chemical Physics, edited by M. P. Allen and D. J. Tildesley (Kluwer Academic, Dordrecht, 1993), pp. 315-377.
69. D.F. Coker and L. Xiao, J. Chem. Phys. 102, 496 (1995).
70. H.S. Mei and D.F. Coker, J. Chem. Phys. 104, 4755 (1996).
71. M. Ben-Num, R.D. Levine, D.M. Jonas, and G.R. Flemming Chem. Phys. Lett. 245, 629 (1995).
72. M. Ben-Num and R.D. Levine, Chem. Phys. 201, 163 (1995).
73. M. Ben-Num, R.D. Levine, and G.R. Fleming (preprint).
74. Z. Li, J.Y. Fang, and C.C. Martens, J. Chem. Phys. 104, 6919 (1996).
75. T.H. Murphrey and P.J. Rossky, J. Chem. Phys. 103, 6665 (1995).
76. E.R. Bittner and P.J. Rossky, J. Chem. Phys. 103, 8130 (1995).
77. E. Neria and A. Nitzan, J. Chem. Phys. 99, 1109 (1993).
78. I.H. Gersonde and H. Gabriel, J. Chem. Phys. 98, 2094 (1993).
79. A.I. Krylov, R.B. Gerber, and V.A. Apkarian, Phys. Chem. 189, 261 (1994).
80. A.I. Krylov and R.B. Gerber, Chem. Phys. Lett. 231, 395 (1994).
81. W.G. Lawrence and V.A. Apkarian, J. Chem. Phys. 101,. 1820 (1994).
82. R. Zadoyan, Z. Li, C.C. Martens, and V.A. Apkarian, J. Chem. Phys. 101, 6648 (1994).
83. R. Zadoyan, Z. Li, P. Ashjian, C.C. Martens, and V.A. Apkarian, Chem. Phys. Lett. 218, 504 (1994).
84. J. Zoval and V.A. Apkarian, J. Phys. Chem. 98, 7945 (1994).
85. Z. Li, R. Zadoyan, V.A. Apkarian, and C.C. Martens, J. Phys. Chem. 99, 7453 (1995).
86. R. Zadoyan, Z. Li, C.C. Martens, and V.A. Apkarian, in Laser Techniques for State-Selected and Slate-to-State Chemistry II, edited by J. W. Hepburn, SPIE Proceedings, 1994, p. 233.
87. R. Zadoyan, Z. Li, O. Ashjian, C.C. Martens, and V.A. Apkarian, Ultrafast Phenomena, Vol. 7 (Springer Verlag, New York, 1994).
88. F.O. Ellison, J. Am. Chem. Soc. 85, 3540 (1963).
89. F.O. Ellison and J.C. Patel, J. Am. Chem. Soc. 85, 3544 (1963).
90. F.O. Ellison and J.C. Patel, J. Am. Chem. Soc. 86, 2115 (1963).
91. A. Warshel and R.M. Weiss, J. Am. Chem. Soc. 102, 6218 (1980).
92. A. Warshel and S. Russell, J. Am. Chem. Soc. 108, 6569 (1986).
93. J.-K. Hwang, G. King, S. Creighton, and A. Warshel, J. Am. Chem. Soc. 110, 5297 (1988).
94. A. Warshel and Z.T. Chu, J. Chem. Phys. 93, 4003 (1990).
95. J.-K. Hwang, S. Creighton, G. King, D. Whitney, and A. Warshel, J. Chem. Phys. 89, 859 (1988).
96. J. Aqvist and A. Warshel, Chem. Rev. 93, 2523 (1993).
97. P. J. Kuntz, in The Diatomics-in-Molecules Method and the Chemical Bond, edited by Z. B. Maksic (Springer-Verlag, New York, 1990).
98. J.C. Tully, in Semiempirical Methods of Electronic Structure Calculation, Part A: Techniques, edited by G.A. Segal (Plenum, New York, 1977).
99. I. Last and T.F. George, J. Chem. Phys. 87, 1183 (1987).
100. L.M. Julien and W.B. Preston, J. Phys. Chem. 72, 3059 (1968).
101. M. Saute and M. Aubert-Frecon, J. Chem. Phys. 77, 5639 (1982).
102. T.Y. Chang, Rev. Mod. Phys. 39, 911 (1967).
103. S. Ya. Umanskij and E.E. Nikitin, Theor. Chim. Acta 13, 91 (1969).
104. P. Luc, J. Mol. Spectrosc. 80, 41 (1980).
105. S. Churrasy, F. Martin, R. Bacis, J. Verges, and R. W. Field, J. Chem. Phys. 75, 4863 (1981).
106. J. Tellinghuisen, J. Chem. Phys. 82, 4012 (1985).
107. K. S. Viswanathan, A. Sur, and J. Tellinghuisen, J. Mol. Spectrosc. 86, 393 (1981).
108. J. Tellinghuisen, J. Mol. Spectrosc. 9-4, 231 (1982).
109. J. Tellinghuisen, J. Mol. Spectrosc. 101, 285 (1983).
110. Le Roy, J. Chem. Phys. 52, 2683 (1970).
111. E. P. Gordeev, S. Ya. Umansky, and A. I Voronin, Chem. Phys. Lett. 23, 524 (1973).
112. R. Mulliken, J. Chem. Phys. 55, 288 (1971).
113. P. Casavecchia, G. He, R. K. Sparks, and Y. T. Lee, J. Chem. Phys. 77, 1878 (1982).
114. C. H. Becker, P. Casavecchia, and Y. T. Lee, J. Chem. Phys. 70, 5477 (1979).
115. A.A. Buchachenko and N.F. Stepanov, J. Chem. Phys. 104, 9913 (1996).
116. L. Xiao and D.F. Coker, J. Chem. Phys. 100, 8464 (1994).
117. V.S. Batista and D.F. Coker (in preparation).
118. M.L. Burke and W. Klemperer, J. Chem. Phys. 98, 1797 (1993).
119. J. Franck and E. Rabinowitch, Trans. Faraday Soc. 30, 120 (1934).
120. L.F. Meadows and R.M. Noyes, J. Am. Chem. Soc. 82, 1872 (1960).
121. T.J. Chuang, G.W. Hoffman, and K.B. Eisenthal, Chem. Phys. Lett. 25, 201 (1974).
122. J.I. Steinfeld, J. Chem. Phys. 44, 2740 (1966).
123. J. Xu, N. Schwentner, S. Hennig, and M. Chergui, J. Chim. Phys. 92, 541 (1995).
124. J. Xu, N. Schwentner, and M. Chergui, J. Chem. Phys., 101, 7381 (1994).
125. J. Tellinghuisen, J. Chem. Phys. 82, 4012 (1985).
126. P.S. Dardi and J.S. Dahler, J. Chem. Phys. 98, 363 (1993).
127. S.Y. Lee and E.J. Heller, J. Chem. Phys. 71, 4777 (1979).