Solvent-induced nonadiabatic transitions in iodine: An ultrafast pump - Probe computational study

Journal of Chemical Physics

Volumn 105, Issue 8, 1996, Pages 3035-3056

  Ben Nun, M ^a,c   Levine, R D ^a   Fleming, Graham R ^b  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b UNIVERSITY OF CHICAGO   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001126790     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472175     Document Type: Article

References (61)

1. I. Orel and B. S. Rabinovitch, Acc. Chem. Res. 12, 166 (1979).
2. C. S. Paramenter, J. Phys. Chem. 86, 1735 (1982).
3. J. C. Owrutsky, D. Raftery, and R. M. Hochstrasser, Annu. Rev. Phys. Chem. 45, 519 (1994).
4. Femtosecond Chemistry, edited by J. Mantz and L. Wöste (VCH, Weinheim. 1992).
5. A. H. Zewial, Femto Chemistry: Ultrafast Dynamics of the Chemical Bond (World Scientific, Singapore, 1995).
6. M. Ben-Nun and R. D. Levine, Acc. Chem. Res. 27, 166 (1994).
7. R. Ravi and S. A. Adelman, Trends. Chem. Phys. 3, 5 (1994).
8. R. D. Levine, in Intetnational Review of Science, edited by W. B. Brown, Theoretical Chemistry Vol. I (Butterworth, Washington, D.C., 1972).
9. R. L. Whetten, G. S. Ezra, and E. R. Grant, Annu. Rev. Phys. Chem. 36, 277 (1985).
10. H. Köppel, W. Domcke, and L. S. Cederbaum, Adv. Chem. Phys. 57, 59 (1984).
11. G. C. G. Waschewsky, P. W. Kash, T. L. Myers, D. C. Kitchen, and L. J. Butler, J. Chem. Soc. Faraday Trans. 90, 1581 (1994).
12. P. J. Reid, M. K. Lawless, S. D. Wickham, and R. A. Mathies, J. Phys. Chem. 98, 5597 (1994).
13. A. L. Harris, J. K. Brown, and C. B. Harris, Annu. Rev. Phys. Chem. 39, 341 (1988).
14. C. B. Harris, D. E. Smith, and D. J. Russell, Chem. Rev. 90, 481 (1990).
15. N. F. Scherer, L. D. Ziegler, and G. R. Fleming, J. Chem. Phys. 96, 5544 (1992).
16. N. F. Scherer, D. M. Jonas, and G. R. Fleming, J. Chem. Phys. 99, 153 (1993).
17. K. Lawley, Chem. Phys. 128, 363 (1988).
18. E. D. Potter, Q. Liu, and A. H. Zewail, Chem. Phys. Lett. 200, 605 (1992).
19. Q. Liu, J. K. Wang, and A. H. Zewail, Nature 364, 427 (1993).
20. J. E. Selwyn and J. I. Steinfeld, Chem. Phys. Lett. 4, 217 (1969).
21. J. I. Steinfeld, Acc. Chem. Res. 3, 313 (1970).
22. J. I. Steinfeld, J. Phys. Chem. Ref. Data 13, 445 (1984).
23. C. A. Thayer and J. T. Yardley, J. Chem. Phys. 57, 3992 (1972).
24. K. F. Freed, Adv. Chem. Phys. 42, 207 (1980).
25. K. F. Freed, Adv. Chem. Phys. 47, 291 (1981).
26. A. Tramer and A. Nitzan, Adv. Chem. Phys. 47, 337 (1981).
27. J. Tellinghuisen, J. Chem. Phys. 82, 4012 (1985).
28. R. D. Levine and R. B. Bernstein, Molecular Reaction Dynamics and Chemical Reactivity (Oxford University Press, New York, 1989).
29. R. D. Levine, Quantum Mechanics of Molecular Rate Processes (Oxford University Press, New York, 1969).
30. B. A. Garetz, L. L. Poulseu, and J. I. Steinfeld, Chem. Phys. 9, 385 (1975).
31. M. Ben-Nun and R. D. Levine, Chem Phys. 201, 163 (1995).
32. N. F. Scherer, L. D. Ziegler, D. M. Jonas, and G. R. Fleming (unpublished).
33. P. Pechukas, Phys. Rev. 181, 166 (1969).
34. D. F. Coker, in Computer Simulations in Chemical Physics, edited by M. P. Allen and D. J. Tildesley, NATO SI Series (Kluwer, Dordrecht, 1993), p. 315.
35. G. D. Billing, Int. Rev. Phys. Chem. 13, 309 (1994).
36. M. F. Herman, Annu. Rev. Phys. Chem. 45, 83 (1994), and references therein.
37. J. I. Steinfeld, Molecules and Radiation (MIT Press, Cambridge, 1985).
38. R. K. Preston and J. C. Tully, J. Chem. Phys. 54, 4297 (1971).
39. R. K. Preston and J. C. Tully, J. Chem. Phys. 55, 562 (1971).
40. J. C. Tully, J. Chem. Phys. 93, 1061 (1990).
41. V. S. Batista and D. F. Coker, J. Chem. Phys. (to be published); P. J. Kuntz, ibid. 95, 141 (1991).
42. V. S. Batista and D. F. Coker, J. Chem. Phys. (to be published); P. J. Kuntz, ibid. 95, 141 (1991).
43. †(t) where Û=exp(-iĤt) is the time evolution operator and the dagger denotes the adjoint.
44. R. P. Feyman, F. L. Vernon, Jr., and R. W. Hellworth, J. Appl. Phys. 28, 49 (1957).
45. A. Messiah, Quantum Mechanics (North-Holland. Amsterdam, 1961).
46. The equations for the amplitudes can be made to look classical by an (exact) trick due to Dirac [P. A. M. Dirac, Proc. R. Soc. A 114, 243 (1927)]. Technically, what the Dirac approach entails is that one needs to solve two classicallike equations for each electronic state that is included in the computation. Whether one uses the Dirac trick or not, is not essential.
47. E. J. Heller, J. Chem. Phys. 75, 2923 (1981).
48. A. D. Buckinghem, in Intennolecular Forces, edited by J. O. Hirschfelder (Interscience, New York, 1967).
49. A. D. Buckinghem, P. W. Fowler, and J. M. Huston, Chem. Rev. 88, 963 (1988).
50. M. P. Allen and D. J. Tildesley, Computer Simulations of Liquids (Clarendon, Oxford, 1989).
51. G. Herzberg, Molecular Spectra and Molecular Structure, Vol. I, Spectra of Diatomic Molecules (Krieger, Malabar, FL, 1989).
52. 3Π) potential: S. Churassy, F. Martin, R. Bacis, J. Vergès, and W. R. Field, J. Chem. Phys. 75, 4863 (1981). Unbound region from Ref. 27.
53. T. J. Martinez, M. Ben-Nun, and G. Ashkenazi, J. Chem. Phys. 104, 2847 (1996).
54. T. J. Martinez, M. Ben-Nun, and R. D. Levine, J. Phys. Chem. 100, 7884 (1996).
55. M. Ben-Nun, R. D. Levine, D. M. Jonas, and G. R. Fleming, Chem. Phys. Lett. 245, 629 (1995).
56. Y. Van, R. M. Whitnell, K. R. Wilson, and A. H. Zewail, Chem. Phys. Lett. 193, 402 (1992).
57. N. F. Scherer, L. D. Ziegler, D. M. Jonas, and G. R. Fleming, in Ultra Fast Phenomena VIII. Springer Ser. Chem. Phys. 55, edited by J.-L. Martin. A. Migus, G. A. Mourou, and A. H. Zewail (Springer, Berlin, 1993), p. 49.
58. I. Fischer, D. M. Villeneuve, M. J. J. Vrakking, and A. L. Stolow, J. Chem. Phys. 102, 5566 (1995).
59. E. J. Heller, J. Chem. Phys. 72, 1337 (1980).
60. E. J. Heller, Acc. Chem. Res. 14, 368 (1981).
61. H.-D. Meyer and W. H. Miller, J. Chem. Phys. 72, 2272 (1980).