Extracting rates of vibrational energy relaxation from centroid molecular dynamics

Chemical Physics Letters

Volumn 336, Issue 5-6, 2001, Pages 488-494

  Poulsen, Jens ^a   Keiding, Søren R ^a   Rossky, Peter J ^b  

^a AARHUS UNIVERSITY   (Denmark)

^b UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001670134     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(01)00136-1     Document Type: Article

References (31)

1. Whitnell R.M., Wilson K.R., Hynes J.T. J. Chem. Phys. 96:1992;5354.
2. Rey R., Hynes J.T. J. Chem. Phys. 104:1996;2356.
3. Rey R., Hynes J.T. J. Chem. Phys. 108:1998;142.
4. Morita A., Kato S. J. Chem. Phys. 109:1998;1998.
5. Gai H., Voth G.A. J. Chem. Phys. 99:1993;740.
6. Everitt K.F., Egorov S.A., Skinner J.L. Chem. Phys. 235:1998;115.
7. Walhout P.K., Silva C., Barbara P.F. J. Phys. Chem. 100:1196;5188.
8. Kliner D.A.V., Alfano J.C., Barbara P.F. J. Chem. Phys. 98:1993;5375.
9. Faltermeier B., Protz R., Maier M. Chem. Phys. 62:1981;377.
10. Woutersen S., Emmerichs U., Nienhuys H.-K., Bakker H.J. Phys. Rev. Lett. 81:1998;1106.
11. Poulsen J.A., Thomsen C.L., Keiding S.R., Thoegersen J. J. Chem. Phys. 108:1998;8461.
12. Oxtoby D.W. Adv. Chem. Phys. 47:1981;487.
13. Bader J.S., Berne B.J. J. Chem. Phys. 100:1994;8359.
14. Egorov S.A., Skinner J.L. Chem. Phys. Lett. 293:1998;469.
15. Egelstaff P.A. Adv. Phys. 11:1962;203.
16. Schofield P. Phys. Rev. Lett. 4:1960;239.
17. Cao J., Voth G.A. J. Chem. Phys. 99:1993;10070.
18. Cao J., Voth G.A. J. Chem. Phys. 100:1994;5093.
19. Cao J., Voth G.A. J. Chem. Phys. 100:1994;5106.
20. Cao J., Voth G.A. J. Chem. Phys. 101:1994;6157.
21. Cao J., Voth G.A. J. Chem. Phys. 101:1994;6168.
22. Cao J., Voth G.A. J. Chem. Phys. 101:1994;6184.
23. Jang S., Voth G.A. J. Chem. Phys. 111:1999;2357.
24. Jang S., Voth G.A. J. Chem. Phys. 111:1999;2371.
25. Reichman D.R., Roy P.-N., Jang S., Voth G.A. J. Chem. Phys. 113:2000;919.
26. Allen M.P., Tildesley D.J. Computer Simulations of Liquids. 1987;Oxford University Press, Oxford.
27. Kubo R., Toda M., Hashitsume N. Statistical Physics II. 1985;Springer, Berlin.
28. Feynman R.P., Kleinert H. Phys. Rev. A. 34:1986;5080.
29. Kleinert H. Path Integrals in Quantum Mechanics, Statistics and Polymer Physics. 1995;World Scientific, Singapore.
30. Pavese M., Voth G.A. Chem. Phys. Lett. 249:1998;231.
31. Schmitt U., Voth G.A. J. Chem. Phys. 111:1999;9361.