On the application of numerical analytic continuation methods to the study of quantum mechanical vibrational relaxation processes

Journal of Chemical Physics

Volumn 109, Issue 18, 1998, Pages 7745-7755

  Gallicchio, E ^a   Egorov, S A ^a   Berne, B J ^a  

^a Och Spine at New York Presbyterian Hospitals   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001506639     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.477420     Document Type: Article

References (49)

1. J. C. Tully, J. Chem. Phys. 93, 1061 (1990).
2. D. F. Coker, in Computer Simulations in Chemical Physics, edited by M. P. Allen and D. J. Tildesley (Kluwer Academic, Dordrecht, 1993), pp. 315-377.
3. W.-S. Sheu and P. J. Rossky, J. Am. Chem. Soc. 115, 7729-7735 (1993).
4. L. Xiao and D. F. Coker, J. Chem. Phys. 102, 1107 (1995).
5. S. Hammes-Schiffer and J. C. Tully, J. Chem. Phys. 101, 4657 (1994).
6. S. Hammes-Schiffer, J. Chem. Phys. 105, 2236 (1996).
7. P. J. Rossky and J. Schnitker, J. Phys. Chem. 92, 4277-4285 (1988).
8. F. J. Webster, J. Schnitker, M. S. Friedrichs, F. A. Friesner, and P. J. Rossky, Phys. Rev. Lett. 66, 3172 (1991).
9. J. S. Bader and B. J. Berne, J. Chem. Phys. 100, 8359 (1994).
10. S. A. Egorov and B. J. Berne, J. Chem. Phys., 6050-6061 (1997).
11. S. Egorov, Eran Rabani, and B. J. Berne, J. Chem. Phys. 108, 1407-1422 (1998).
12. K. Blum, Density Matrix Theory and Applications (Plenum, New York, 1981).
13. A. G. Redfield, Adv. Magn. Reson. 1, 1 (1965).
14. W. T. Pollard, A. K. Felts, and R. A. Friesner, Adv. Chem. Phys. 93, 77 (1996).
15. S. A. Egorov and J. L. Skinner, J. Chem. Phys. 105, 7047-7058 (1996).
16. F. E. Figuerido and R. M. Levy, J. Chem. Phys. 97, 703 (1992).
17. H. Gai and G. A. Voth, J. Chem. Phys. 99, 740 (1993).
18. B. J. Berne and D. Thirumalai, Annu. Rev. Phys. Chem. 37, 401-424 (1986).
19. V. S. Filinov, Nucl. Phys. B 271, 717 (1986).
20. N. Makri, Comput. Phys. Commun. 63, 389-414 (1991).
21. M. Topaler and N. Makri, J. Chem. Phys. 97, 9001 (1992).
22. M. Topaler and N. Makri, J. Phys. Chem. 100, 4430 (1996).
23. G. A. Voth, Adv. Chem. Phys. 93, 135 (1996).
24. G. Baym and D. Mermin, J. Math. Phys. 2, 232 (1960).
25. D. Thirumalai and B. J. Berne, Comput. Phys. Commun. 63, 415-426 (1991).
26. E. Gallicchio and B. J. Berne, J. Chem. Phys. 101, 9909-9918 (1994).
27. E. Gallicchio and B. J. Berne, J. Chem. Phys. 105, 7064-7078 (1996).
28. Emilio Gallicchio, Ph.D. thesis, Columbia University, Graduate School of Arts and Sciences, New York, NY, 1996.
29. S. A. Egorov, E. Gallicchio, and B. J. Berne, J. Chem. Phys. 107, 9312 (1997).
30. M. E. Tuckerman, B. J. Berne, G. J. Martyna, and M. L. Klein, J. Chem. Phys. 99, 2796 (1993).
31. M. Tuckerman and B. J. Berne, J. Chem. Phys. 98, 7301 (1993).
32. A. Nitzan, S. Mukamel, and J. Jortner, J. Chem. Phys. 63, 200-207 (1975).
33. S. A. Egorov and J. L. Skinner, J. Chem. Phys. 106, 1034-1040 (1996).
34. B. J. Berne, in Physical Chemistry, An Advanced Treatise, edited by H. Eyring (Academic, New York, 1967-75), Vol. IIIB, Chap. 9.
35. J. E. Straub, M. Borkovec, and B. J. Berne, J. Phys. Chem. 91, 4995-4998 (1987).
36. B. J. Berne, M. E. Tuckerman, J. E. Straub, and A. L. R. Bug, J. Chem. Phys. 93, 5084 (1990).
37. M. Jarrell and J. E. Gubernatis, Phys. Rep. 269, 133 (1996).
38. J. Skilling, in Maximum Entropy and Bayesian Methods, edited by J. Skilling (Kluwer Academic, Dordrecht, 1989).
39. S. F. Gull, in Maximum Entropy and Bayesian Methods, edited by J. Skilling (Kluwer Academic, Dordrecht, 1989).
40. C. E. Creffield, E. G. Klepfish, E. R. Pike, and S. Sarkar, Phys. Rev. Lett. 75, 517 (1995).
41. W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling, Numerical Recipes (Cambridge University Press, Cambridge, 1986).
42. M. Bertero, P. Brianzi, E. R. Pike, and L. Rebolia, Proc. R. Soc. London, Ser. A 415, 257 (1988).
43. R. P. Feynman, Statistical Mechanics (Addison-Wesley, New York, 1972).
44. D. Chandler, in Liquids, Freezing and Glass Transition, edited by D. Levesque, J. P. Hansen, and J. Zinn-Justin (Elsevier Science, New York, 1990).
45. M. F. Herman, E. J. Bruskin, and B. J. Berne, J. Chem. Phys. 76, 5150-5155 (1982).
46. J. E. Straub, M. Borkovec, and B. J. Berne, J. Chem. Phys. 89, 4833-4847 (1988).
47. E. L. Pollock and D. M. Ceperley, Phys. Rev. B 30, 2555-2568 (1984).
48. R. A. Friesner and R. M. Levy, J. Chem. Phys. 80, 4488-4495 (1984).
49. C. H. Mak and H. C. Andersen, J. Chem. Phys. 92, 2953-2965 (1990).