Mode-coupling theory for reaction dynamics in liquids

Journal of Chemical Physics

Volumn 120, Issue 14, 2004, Pages 6642-6647

  Shental, Nurit ^a   Rabani, Eran ^a  

^a TEL AVIV UNIVERSITY   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL REACTIONS; COMPUTER SIMULATION; CORRELATION METHODS; DENSITY (SPECIFIC GRAVITY); FRICTION; HAMILTONIANS; ISOMERIZATION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; QUANTUM THEORY; RANDOM PROCESSES; SOLVENTS;

CONDENSED PHASES; MODE-COUPLINGS; REACTION DYNAMICS; REACTIVE FLUX;

REACTION KINETICS;

EID: 2342524104     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1667879     Document Type: Article

References (51)

1. P. Hänggi, P. Talkner, and M. Borkovec, Rev. Mod. Phys. 62, 251 (1990).
2. H. A. Kramers, Physica (Utrecht) 7, 284 (1940).
3. R. F. Grote and J. T. Hynes, J. Chem. Phys. 73, 2715 (1980).
4. R. Zwanzig, Lectures in Theoretical Physics (Wiley, New York, 1961), Vol. III, p. 135.
5. J. E. Straub, M. Borkovec, and B. J. Berne, J. Chem. Phys. 83, 3172 (1985).
6. B. J. Berne and D. Thirumalai, Annu. Rev. Phys. Chem. 37, 401 (1986).
7. E. Pollak, H. Grabert, and P. Hänggi, J. Chem. Phys. 91, 4073 (1989).
8. D. Chandler, J. Chem. Phys. 68, 2959 (1978).
9. J. B. Anderson, J. Chem. Phys. 58, 4684 (1973).
10. C. H. Bennett, in Algorithms for Chemical Computations, edited by R. E. Christofferson (American Chemical Society, Washington, DC, 1977), p. 63.
11. J. A. Montgomery, Jr., D. Chandler, and B. J. Berne, J. Chem. Phys. 70, 4056 (1979).
12. D. Chandler, in Classical and Quantum Dynamics in Condensed Phase Simulations, edited by B. J. Berne, G. Ciccotti, and D. F. Coker (World Scientific, Singapore, 1998), pp. 51-66.
13. P. L. Geissler, C. Dellago, D. Chandler, J. Hutter, and M. Parinello, Science 291, 212 (2001).
14. P. G. Bolhuis, C. Dellago, D. Chandler, and P. L. Geissler, Annu. Rev. Phys. Chem. 53, 291 (2002).
15. C. Dellago, P. G. Bolhuis, and P. L. Geissler, Adv. Chem. Phys. 123, 1 (2002).
16. E. Pollak, J. Chem. Phys. 85, 865 (1986).
17. R. Zwanzig, J. Stat. Phys. 9, 215 (1973).
18. E. Cortés, B. J. West, and K. Lindenberg, J. Chem. Phys. 82, 2708 (1985).
19. U. Balucani and M. Zoppi, Dynamics of the Liquid State (Oxford University Press, New York, 1994).
20. J. P. Boon and S. Yip, Molecular Hydrodynamics (McGraw-Hill, New York, 1980).
21. J. P. Hansen and I. R. McDonald, Theory of Simple Liquids (Academic, San Diego, 1986).
22. S. Bhattacharyya and B. Bagchi, J. Chem. Phys. 106, 1757 (1997).
23. B. Bagchi and R. Biswas, Adv. Chem. Phys. 109, 207 (1999).
24. B. Bagchi and D. W. Oxtoby, J. Chem. Phys. 78, 2735 (1983).
25. L. Sjögren and A. Sjölander, J. Phys. C 12, 4369 (1979).
26. P. Mazur and I. Oppenheim, Physica (Utrecht) 50, 241 (1970).
27. U. Mohanty, K. E. Shuler, and I. Oppenheim, Physica B & C 115, 1 (1982).
28. I. Oppenheim and A. Orsky, J. Stat. Phys. 65, 859 (1991).
29. H. Mori, Prog. Theor. Phys. 33, 423 (1965).
30. H. Mori, Prog. Theor. Phys. 34, 399 (1965).
31. S. A. Egorov, R. A. Denny, and D. R. Reichman, J. Chem. Phys. 116, 5080 (2002).
32. S. A. Egorov, J. Chem. Phys. 118, 10643 (2003).
33. R. A. Denny and D. R. Reichman, Phys. Rev. E 63, 065101(R) (2001).
34. R. A. Denny and D. R. Reichman, J. Chem. Phys. 116, 1979 (2002).
35. R. A. Denny and D. R. Reichman, J. Chem. Phys. 116, 1987 (2002).
36. E. Rabani and D. R. Reichman, Phys. Rev. E 65, 036111 (2002).
37. D. R. Reichman and E. Rabani, Phys. Rev. Lett. 87, 265702 (2001).
38. E. Rabani and D. R. Reichman, J. Chem. Phys. 116, 6271 (2002).
39. D. R. Reichman and E. Rabani, J. Chem. Phys. 116, 6279 (2002).
40. E. Rabani, D. R. Reichman, G. Krilov, and B. J. Berne, Proc. Natl. Acad. Sci. U.S.A. 99, 1129 (2002).
41. E. Rabani and D. R. Reichman, Europhys. Lett. 60, 656 (2002).
42. E. Rabani and D. R. Reichman, J. Chem. Phys. 120, 1458 (2004).
43. W. Götze and L. Sjögren, Rep. Prog. Phys. 55, 241 (1992).
44. S. A. Egorov and E. Rabani, J. Chem. Phys. 115, 617 (2001).
45. E. Rabani (unpublished).
46. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).
47. B. J. Berne and G. D. Harp, Adv. Chem. Phys. 17, 63 (1970).
48. J. E. Straub, M. Borkovec, and B. J. Berne, J. Chem. Phys. 89, 4833 (1988).
49. J. E. Straub and B. J. Berne, J. Chem. Phys. 83, 1138 (1985).
50. J. E. Straub, D. A. Hsu, and B. J. Berne, J. Phys. Chem. 89, 5188 (1985).
51. B. J. Berne, in Multiple Time Scales, edited by J. U. Brackbill and B. I. Cohen (Academic, New York, 1985), p. 419.