Electronic decoherence time for non-Born-Oppenheimer trajectories

Journal of Chemical Physics

Volumn 123, Issue 6, 2005, Pages

  Jasper, Ahren W ^a   Truhlar, Donald G ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DEACY TIME; ELECTRONIC DECOHERENCE; ELECTRONIC MATRIX; MOLECULAR-DYNAMICS SIMULATIONS;

COMPUTER SIMULATION; MATRIX ALGEBRA; MOLECULAR DYNAMICS; PARAMETER ESTIMATION;

QUANTUM THEORY;

EID: 24144456278     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1995695     Document Type: Article

References (35)

1. B. L. Hu, J. B. Paz, and Y. Zhang, Phys. Rev. D 45, 2843 (1992).
2. J. B. Paz and S. Sinha, Phys. Rev. D 44, 1038 (1991).
3. J. B. Paz, S. Habib, and W. H. Zurek, Phys. Rev. D 47, 488 (1993).
4. M. Simonius, Phys. Rev. Lett. 40, 980 (1978).
5. W. H. Zurek, Phys. Rev. D 26, 1862 (1982).
6. R. Kosloff, M. A. Ratner, and W. B. Davis, J. Chem. Phys. 106, 7036 (1997).
7. V. May and O. Kühn, Charge and Energy Transfer Dynamics in Molecular Systems (Wiley-VCH, Berlin, 2000).
8. A. V. Pisliakov, M. F. Gelin, and W. Domcke, J. Phys. Chem. A 107, 2657 (2003).
9. V. Mujica and M. A. Ratner, in Handbook of Nanoscience, Engineering and Technology, edited by, W. A. Goddard, D. W. Brenner, S. E. Lyshevski, and, G. J. Iafrate, (CRC, Boca Raton, Florida, 2003), Chap..
10. X.-Y. Zhu, Surf. Sci. Rep. 56, 1 (2004).
11. M. Kleckner and A. Ron, Phys. Rev. A 63, 022110 (2001).
12. O. Prezhdo and P. J. Rossky, J. Chem. Phys. 107, 5863 (1997).
13. L. Turi and P. J. Rossky, J. Chem. Phys. 120, 3688 (2004).
14. M. D. Hack and D. G. Truhlar, J. Chem. Phys. 114, 9305 (2001).
15. C. Zhu, S. Nangia, A. W. Jasper, and D. G. Truhlar, J. Chem. Phys. 121, 7658 (2004).
16. C. Zhu, A. W. Jasper, and D. G. Truhlar, J. Chem. Phys. 120, 5543 (2004).
17. H. Hwang and P. J. Rossky, J. Phys. Chem. B 108, 6723 (2004).
18. G. A. Fiete and E. J. Heller, Phys. Rev. A 68, 022112 (2003).
19. E. J. Heller, J. Chem. Phys. 62, 1544 (1975).
20. A. W. Jasper, S. Nangia, C. Zhu, and D. G. Truhlar, Acc. Chem. Res. (accepted).
21. J. C. Tully, J. Chem. Phys. 93, 1061 (1990).
22. J. C. Tully, in Modern Methods for Multidimensional Dynamics Computations in Chemistry, edited by, D. L. Thompson, (World Scientific, Singapore, 1998), pp. 34-72.
23. S. Adhikari and G. D. Billing, J. Chem. Phys. 111, 48 (1999).
24. K. F. Wong and P. J. Rossky, J. Chem. Phys. 116, 8418 (2002).
25. K. F. Wong and P. J. Rossky, J. Chem. Phys. 116, 8429 (2002).
26. D. A. Micha and B. Thorndyke, Int. J. Quantum Chem. 90, 759 (2002).
27. I. Horenko, C. Salzmann, B. Schmidt, and C. Schütte, J. Chem. Phys. 117, 11075 (2002).
28. J. Gong and P. Brumer, Phys. Rev. A 68, 022101 (2003).
29. B. Thorndyke and D. A. Micha, Chem. Phys. Lett. 403, 280 (2005).
30. I. Burghardt, J. Chem. Phys. 122, 94103 (2005).
31. J. W. Duff and D. G. Truhlar, J. Chem. Phys. 63, 4418 (1975).
32. W. R. Gentry, in Atom-Molecule Collision Theory, edited by, R. B. Bernstein, (Plenum, New York, 1979), p. 391.
33. L. L. Halcomb and D. J. Diestler, J. Chem. Phys. 121, 3393 (2004).
34. G. D. Billing, Int. Rev. Phys. Chem. 13, 309 (1994).
35. Q. Shi and E. Geva, J. Chem. Phys. 121, 3393 (2004).