Semiclassical initial value treatment of correlation functions

Journal of Chemical Physics

Volumn 120, Issue 6, 2004, Pages 2606-2617

  Sklarz, Ternira ^a   Kay, K G ^a  

^a BAR ILAN UNIVERSITY   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

CONTINUUM MECHANICS; CONVERGENCE OF NUMERICAL METHODS; CORRELATION METHODS; DEGREES OF FREEDOM (MECHANICS); EIGENVALUES AND EIGENFUNCTIONS; FUNCTION EVALUATION; HAMILTONIANS; INITIAL VALUE PROBLEMS; INTEGRATION; LARGE SCALE SYSTEMS; LINEARIZATION; MATHEMATICAL MODELS; MOLECULAR VIBRATIONS; MONTE CARLO METHODS; OPTIMIZATION; PHASE SPACE METHODS;

CORRELATION FUNCTIONS; INITIAL VALUE REPRESENTATION (IVR);

QUANTUM THEORY;

EID: 1542531933     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1637342     Document Type: Article

References (41)

1. W. H. Miller, J. Phys. Chem. A 105, 2942 (2001).
2. M. F. Herman and E. Kluk, Chem. Phys. 91, 27 (1984).
3. K. G. Kay, J. Chem. Phys. 100, 4377 (1994).
4. K. G. Kay, J. Chem. Phys. 100, 4432 (1994).
5. K. G. Kay, J. Chem. Phys. 101, 2250 (1994).
6. F. Grossmann, Comments At. Mol. Phys. 34, 141 (1999).
7. X. Sun and W. H. Miller, J. Chem. Phys. 108, 8870 (1998).
8. V. S. Batista and W. H. Miller, J. Chem. Phys. 108, 498 (1998).
9. E. A. Coronado, V. S. Batista, and W. H. Miller, J. Chem. Phys. 112, 5566 (2000).
10. M. Thoss, W. H. Miller, and G. Stock, J. Chem. Phys. 112, 10282 (2000).
11. A. L. Kaledin and W. H. Miller, J. Chem. Phys. 118, 7174 (2003).
12. A. R. Walton and D. Manolopoulos, Mol. Phys. 87, 961 (1996).
13. M. L. Brewer, J. S. Hulme, and D. E. Manolopoulos, J. Chem. Phys. 106, 4832 (1997).
14. M. L. Brewer, J. Chem. Phys. 111, 6168 (1999).
15. H. Wang, D. E. Manolopoulos, and W. H. Miller, J. Chem. Phys. 115, 6317 (2001).
16. E. J. Heller, Acc. Chem. Res. 14, 368 (1981).
17. T. Sklarz and K. G. Kay, J. Chem. Phys. 117, 5988 (2002).
18. S. Y. Lee and E. J. Heller, J. Chem. Phys. 71, 4777 (1979).
19. D. J. Tannor and E. J. Heller, J. Chem. Phys. 77, 202 (1982).
20. A. B. Myers, R. A. Mathies, D. J. Tannor, and E. J. Heller, J. Chem. Phys. 77, 3857 (1982).
21. M. Nest and H.-D. Meyer, J. Chem. Phys. 117, 10499 (2002). The auto-correlation functions can be downloaded from http://www.pci.uni-heidelberg.de/tc/usr/mctdh/
22. W. H. Miller, Adv. Chem. Phys. 25, 69 (1974).
23. K. G. Kay, J. Phys. Chem. A 105, 2535 (2001).
24. Y. Elran and K. G. Kay, J. Chem. Phys. 114, 4362 (2001).
25. Y. Elran and K. G. Kay, J. Chem. Phys. 116, 10577 (2002).
26. M. S. Child, Semiclassical Mechanics with Molecular Applications (Clarendon, Oxford, 1991).
27. W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. R. Flannery, Numerical Recipes in Fortran (Cambridge University Press, Cambridge, 1992), pp. 282-283.
28. E. Kluk, M. F. Herman, and H. L. Davis, J. Chem. Phys. 84, 326 (1986).
29. Y. Elran and K. G. Kay, J. Chem. Phys. 110, 3653 (1999).
30. Y. Elran and K. G. Kay, J. Chem. Phys. 110, 8912 (1999).
31. B. R. McQuarrie and P. Brumer, Chem. Phys. Lett. 319, 27 (2000).
32. J. Brickmann and P. Russeger, J. Chem. Phys. 75, 5744 (1981).
33. D. V. Shalashilin and M. S. Child, J. Chem. Phys. 115, 5367 (2001).
34. H. Wang, X. Sun, and W. H. Miller, J. Chem. Phys. 108, 9726 (1998).
35. H.-W. Lee and M. O. Scully, J. Chem. Phys. 73, 2238 (1980).
36. S. Goursaud, M. Sizun, and F. Fiquet-Fayard, J. Chem. Phys. 65, 5453 (1977).
37. R. C. Brown and E. J. Heller, J. Chem. Phys. 75, 186 (1981).
38. See, however, V. M. Azriel, G. D. Billing, L. Yu. Rusin et al., Chem. Phys. 195, 243 (1995).
39. M. Madhusoodanan and K. G. Kay, J. Chem. Phys. 109, 2644 (1998).
40. H. Goldstein, Classical Mechanics (Addison-Wesley, Reading, MA, 1980).
41. R. G. Littlejohn and J. M. Robbins, Phys. Rev. A 36, 2953 (1987).