Mixed quantum-classical dynamics

Faraday Discussions

Volumn 110, Issue , 1998, Pages 407-419

  Tully, John C ^a  

^a Yale University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 2742590512     PISSN: 13596640     EISSN: None     Source Type: Journal    
DOI: 10.1039/a801824c     Document Type: Article

References (52)

1. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, Clarendon, Oxford, 1987.
2. R. Car and M. Parrinello, Phys. Rev. Lett., 1985, 55, 2471.
3. M. Born and J. R. Oppenheimer, Ann. Phys., 1927, 84, 457.
4. A. G. Redfield, Adv. Magn. Reson., 1965, 1, 1.
5. J. M. Jean, R. A. Friesner and G. R. Fleming, J. Chem. Phys., 1992, 96, 5827.
6. N. F. Mott, Proc. Cambridge Philos. Soc., 1931, 27, 553.
7. E. E. Nikitin, Theory of Elementary Atomic and Molecular Processes in Gases, Clarendon, Oxford, 1974.
8. A. D. McLachlan, Mol. Phys., 1964, 8, 39.
9. J. C. Tully and R. K. Preston, J. Chem. Phys., 1971, 55, 562.
10. H. D. Meyer and W. H. Miller, J. Chem. Phys., 1980, 72, 2272.
11. D. A. Micha, J. Chem. Phys., 1983, 78, 7138.
12. Z. Kirson, R. B. Gerber, A. Nitzan and M. A. Ratner, Surf. Sci., 1984, 137, 527.
13. S. I. Sawada, A. Nitzan and H. Metiu, Phys. Rev. B, 1985, 32, 851.
14. H. J. C. Berendsen and J. Mavri, J. Phys. Chem., 1993, 97, 13464.
15. P. Bala, B. Lesyng and J. A. McCammon, Chem. Phys. Lett., 1994, 9, 259.
16. G. D. Billing, Int. Rev. Phys. Chem., 1994, 13, 309.
17. M. Head-Gordon and J. C. Tully, J. Chem. Phys., 1995, 103, 10137.
18. P. A. M. Dirac, Proc. Cambridge Philos. Soc., 1930, 26, 376.
19. J. Linderberg and Y. Ohrn, Propagators in Quantum Chemistry, Academic Press, New York, 1972.
20. E. J. Heller, J. Chem. Phys., 1976, 64, 63.
21. R. B. Gerber, V. Buch and M. A. Ratner, J. Chem. Phys., 1982, 77, 3022.
22. B. Jackson, Annu. Rev. Phys. Chem., 1995, 46, 251.
23. J. C. Tully, in Modern Methods for Multidimensional Dynamics Computation in Chemistry, ed. D. L. Thompson, World Scientific, Singapore, 1998, ch. 2.
24. A. Messiah, Quantum Mechanics, John Wiley, New York, 1962, vol. 1, pp. 222-228.
25. H. Goldstein, Classical Mechanics, Addison-Wesley, New York, 1950, pp. 273-317.
26. F. A. Bornemann, P. Nettesheim and C. Schutte, J. Chem. Phys., 1996, 105, 1074.
27. L. D. Landau, Phys. Zts. Sowjet., 1932, 2, 46.
28. C. Zener, Proc. Roy. Soc. Sci. A, 1932, 137, 696.
29. H. Nakamura and C. Zhu, Comments At. Mol. Phys., 1996, 32, 249.
30. U. Muller and G. Stock, J. Chem. Phys., 1997, 107, 6230.
31. D. Kohen, F. H. Stillinger and J. C. Tully, J. Chem. Phys., in press.
32. C. C. Martens and J-Y. Fang, J. Chem. Phys., 1997, 106, 4918.
33. J.R. Stine and J. T. Muckerman, J. Chem. Phys., 1976, 65, 3975.
34. N. C. Biais and D. G. Truhlar, J. Chem. Phys., 1983, 79, 1334.
35. G. Parlant and E. A. Gislason, J. Chem. Phys., 1989, 91, 4416.
36. J. C. Tully, J. Chem. Phys., 1990, 93, 1061.
37. P. J. Kuntz, J. Chem. Phys., 1991, 95, 141.
38. F. J. Webster, P. J. Rossky and R. A. Friesner, Comput. Phys. Commun., 1991, 63, 494.
39. I. H. Gersonde and H. Gabriel, J. Chem. Phys., 1993, 98, 2094.
40. D. F. Coker and L. Xiao, J. Chem. Phys., 1995, 102, 496.
41. A. I. Krylov, R. B. Gerber and R. D. Coalson, J. Chem. Phys., 1996, 105, 4626.
42. O. V. Prezhdo and P. J. Rossky, J. Chem. Phys., 1997, 107, 6230.
43. J. C. Tully, in Modern Theoretical Chemistry: Dynamics of Molecular Collisions, ed. W. H. Miller, Plenum Press, New York, 1976, p. 217.
44. J. C. Tully, Int. J. Quantum Chem., 1991, 25, 299.
45. M. F. Herman, Annu. Rev. Phys. Chem., 1994, 45, 83.
46. S. Hammes-Schiffer and J. C. Tully, J. Chem. Phys., 1995, 103, 8528.
47. E. Neria and A. Nitzan, J. Chem. Phys., 1993, 99, 1109.
48. S. Hammes-Schiffer and J. C. Tully, J. Chem. Phys., 1994, 101, 4657.
49. B. J. Schwartz, E. R. Bittner, O. V. Prezhdo and P. J. Rossky, J. Chem. Phys., 1996, 104, 5942.
50. M. F. Herman, J. Chem. Phys., 1995, 103, 8081.
51. T. J. Martinez, M. Ben-Nun and R. D. Levine, J. Phys. Chem., 1996, 100, 7884.
52. X. Sun and W. H. Miller, J. Chem. Phys., 1997, 106, 6346.