Mean field Ehrenfest quantum/classical simulation of vibrational energy relaxation in a simple liquid

Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics

Volumn 66, Issue 4, 2002, Pages 17-

  Käb, Günter ^a  

^a MAX PLANCK INSTITUTE FOR BIOPHYSICAL CHEMISTRY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; CORRELATION METHODS; ELECTRON ENERGY LEVELS; ENERGY TRANSFER; HAMILTONIANS; HARMONIC ANALYSIS; OSCILLATIONS; PERTURBATION TECHNIQUES; RELAXATION PROCESSES; VECTORS; WAVE EFFECTS;

HARMONIC OSCILLATOR MODEL; QUANTUM STATES; VIBRATIONAL ENERGY RELAXATION (VER); WAVE PACKETS;

QUANTUM THEORY;

ARTICLE;

EID: 41349108189     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.66.046117     Document Type: Article

References (53)

1. Classical and Quantum Dynamics in Condensed Phase Simulations, edited by B. J. Berne, G. Ciccotti, and D. F. Coker (World Scientific, Singapore, 1998).
2. G. D. Billing, in Encyclopedia of Computational Chemistry, edited by P. von R. Schleyer (Wiley, New York, 1998), p. 1587.
3. J. C. Tully, in Modern Methods for Multidimensional Dynamics Computations in Chemistry, edited by D. L. Thompson (World Scientific, Singapore, 1998), p. 34;
4. J. C. TullyFaraday Discuss. 110, 407 (1998).
5. S. Hammes-Schiffer, J. Phys. Chem. A 102, 10 443 (1998).
6. K. Drukker, J. Comput. Phys. 153, 225 (1999).
7. P. Jungwirth and R. B. Berber, Chem. Rev. 99, 1583 (1999).
8. N. Makri, Annu. Rev. Phys. Chem. 50, 167 (1999).
9. W. H. Miller, J. Phys. Chem. A 105, 2942 (2001).
10. W. Domcke and G. Stock, Adv. Chem. Phys. 100, 1 (1997).
11. D. F. Coker and L. Xiao, J. Chem. Phys. 102, 496 (1995).
12. E. J. Heller, J. Phys. Chem. A 103, 10 433 (1999).
13. N. Makri, J. Phys. Chem. A 102, 4414 (1998).
14. R. B. Gerber and M. A. Ratner, Adv. Chem. Phys. 70, 97 (1988).
15. R. B. Gerber et al., in Modern Methods for Multidimensional Dynamics Computations in Chemistry, edited by D. L. Thompson (World Scientific, Singapore, 1998), p. 238.
16. D. Kohen, F. H. Stillinger, and J. C. Tully, J. Chem. Phys. 109, 4713 (1998).
17. J. C. Tully, J. Chem. Phys. 93, 1061 (1990).
18. S. Hammes-Schiffer and J. C. Tully, J. Chem. Phys. 101, 4657 (1994).
19. G. D. Billing, Int. Rev. Phys. Chem. 13, 309 (1994).
20. (a) C. B. Harris, D. E. Smith, and D. J. Russell, Chem. Rev. 90, 481 (1990);
21. (b) J. C. Owrutsky, D. Raftery, and R. M. Hochstrasser, Annu. Rev. Phys. Chem. 45, 519 (1994);
22. (c) D. W. Oxtoby, Adv. Chem. Phys. 47, 487 (1981);
23. (d) D. W. Oxtoby, Annu. Rev. Phys. Chem. 32, 77 (1981);
24. (e) J. Chesnoy and G. M. Gale, Ann. Phys. (Paris) 9, 893 (1984);
25. (f) J. Chesnoy and G. M. Gale, Adv. Chem. Phys. 70, 297 (1988);
26. Adv. Chem. Phys.(g) S. A. Adelman, 84, 73 (1993);
27. (h) D. W. Miller and S. A. Adelman, Int. Rev. Phys. Chem. 13, 359 (1994);
28. (i) R. M. Stratt and M. Maroncelli, J. Phys. Chem. 100, 12 981 (1996).
29. S. A. Egorov, E. Rabani, and B. J. Berne, J. Phys. Chem. B 103, 10 978 (1999);
30. S. A. Egorov and B. J. Berne, J. Chem. Phys. 107, 6050 (1997).
31. G. Käb and V. S. Vikhrenko, Phys. Chem. Chem. Phys. 3, 2223 (2001).
32. G. Käb, C. Schröder, and D. Schwarzer, Phys. Chem. Chem. Phys. 4, 271 (2002).
33. S. Okazaki, Adv. Chem. Phys. 118, 191 (2001).
34. T. Terashima, M. Shiga, and S. Okazaki, J. Chem. Phys. 114, 5663 (2001).
35. S. Jang, Y. Pak, and G. A. Voth, J. Phys. Chem. A 103, 10 289 (1999).
36. M. H. Beck, Phys. Rep. 324, 1 (2000).
37. A. Raab, Chem. Phys. Lett. 319, 674 (2000).
38. G. D. Billing and K. V. Mikkelsen, Advanced Molecular Dynamics and Chemical Kinetics (Wiley, New York, 1997).
39. H. Hellmann, Z. Phys. 85, 180 (1933).
40. R. P. Feynman, Phys. Rev. 56, 340 (1939).
41. H. Jiang and X. S. Zhao, J. Chem. Phys. 113, 930 (2000).
42. P. Nettesheim, Chem. Phys. Lett. 256, 581 (1996).
43. F. A. Bornemann, P. Nettesheim, and C. Schütte, J. Chem. Phys. 105, 1074 (1996).
44. V. S. Vikhrenko, J. Chem. Phys. 110, 5273 (1999).
45. G. C. Schatz and M. A. Ratner, Quantum Mechanics in Chemistry (Prentice-Hall, Englewood Cliffs, NJ, 1993).
46. S. A. Egorov and J. L. Skinner, J. Chem. Phys. 112, 275 (2000).
47. Q. Liu, J.-K. Wang, and A. H. Zewail, J. Phys. Chem. 99, 11 321 (1995).
48. J. K. Johnson, J. A. Zollweg, and K. E. Gubbins, Mol. Phys. 78, 591 (1993).
49. C. W. Gardiner and P. Zoller, Quantum Noise (Springer, Berlin, 2000).
50. V. May and O. Kühn, Charge and Energy Transfer Dynamics in Molecular Systems (Wiley-VCH, Berlin, 2000).
51. D. W. Oxtoby, Adv. Chem. Phys. 47, 487 (1981).
52. R. Kubo, M. Toda, and N. Hashitsume, Statistical Physics II (Springer, Berlin, 1991).
53. P. Ehrenfest, Z. Phys. 45, 455 (1927).