Nonadiabatic dynamics via the classical limit Schrödinger equation

Journal of Chemical Physics

Volumn 112, Issue 14, 2000, Pages 6097-6103

  Burant, John C ^a   Tully, John C ^a  

^a YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001581306     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481211     Document Type: Article

References (32)

1. E. E. Nikitin, Theory of Elementary Atomic and Molecular Processes in Gases (Clarendon, Oxford, 1974).
2. N. F. Mott, Proc. Cambridge Philos. Soc. 27, 553 (1931).
3. J. C. Tully and R. K. Preston, J. Chem. Phys. 55, 562 (1971).
4. W. H. Miller and T. F. George, J. Chem. Phys. 56, 5637 (1972).
5. M. F. Herman, J. Chem. Phys. 103, 8081 (1995).
6. J. C. Tully, J. Chem. Phys. 93, 1061 (1990).
7. K. Drukker, J. Comput. Phys. 153, 225 (1999), and references therein.
8. J. Caro and L. L. Salcedo, Phys. Rev. A 60, 842 (1999).
9. O. V. Prezhdo and V. V. Kisil, Phys. Rev. A 56, 162 (1997).
10. H.-D. Meyer and W. H. Miller, J. Chem. Phys. 70, 3214 (1979).
11. X. Sun and W. H. Miller, J. Chem. Phys. 106, 6346 (1997).
12. U. Müller and G. Stock, J. Chem. Phys. 108, 7516 (1998).
13. C. C. Martens and J.-Y. Fang, J. Chem. Phys. 106, 4918 (1997).
14. A. Donoso and C. C. Martens, J. Phys. Chem. A 102, 4291 (1998).
15. R. Kapral and G. Ciccotti, J. Chem. Phys. 110, 8919 (1999).
16. D. Bohm, Phys. Rev. 85, 166 (1952).
17. P. R. Holland, The Quantum Theory of Motion (Cambridge University Press, Cambridge, 1993).
18. E. Madelung, Z. Phys. 40, 322 (1926).
19. J. C. Tully, in Modern Methods for Multidimensional Dynamics Computations in Chemistry, edited by D. L. Thompson (World Scientific, Singapore 1998).
20. J. C. Tully, in Classical and Quantum Dynamics in Condensed Phase Simulations, edited by B. J. Berne, G. Cicotti, and D. F. Coker (World Scientific, Singapore, 1998).
21. J. C. Tully, Faraday Discuss. 110, 407 (1998).
22. j to Eq. (6), which gives an equivalent pair of equations.
23. j.
24. J.-Y. Fang and S. Hammes-Schiffer, J. Chem. Phys. 110, 11166 (1999).
25. The fact that the second derivative coupling term must be retained for norm conservation must surely be known, but we do not know where this has previously been explictly pointed out in the literature.
26. F. T. Smith, Phys. Rev. 179, 111 (1969).
27. J. Morelli and S. Hammes-Schiffer, Chem. Phys. Lett. 269, 161 (1997).
28. D. Kosloff and R. Kosloff, J. Comput. Phys. 52, 35 (1983).
29. P. Pechukas, Phys. Rev. 181, 174 (1969).
30. E. J. Heller, J. Chem. Phys. 65, 1289 (1976).
31. K. Haug and H. Metiu, J. Chem. Phys. 97, 4781 (1992).
32. C. Lopreore and R. Wyatt, Phys. Rev. Lett. 82, 5190 (1999).