Semiclassical dynamics with quantum trajectories: Formulation and comparison with the semiclassical initial value representation propagator

Journal of Chemical Physics

Volumn 118, Issue 6, 2003, Pages 2482-2490

  Garashchuk, Sophya ^a   Rassolov, Vitaly A ^a  

^a UNIVERSITY OF SOUTH CAROLINA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CURVE FITTING; ELECTRONIC DENSITY OF STATES; ITERATIVE METHODS; NONLINEAR EQUATIONS; PROBABILITY DENSITY FUNCTION; STATISTICAL METHODS; WAVE PROPAGATION;

APPROXIMATE QUANTUM POTENTIAL; GAUSSIAN FITTING FUNCTIONS; QUANTUM TRAJECTORIES; SEMICLASSICAL INITIAL REPRESENTATION PROPAGATOR;

QUANTUM THEORY;

EID: 0037425949     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1535421     Document Type: Article

References (41)

1. J. C. Light and T. Carrington, Jr., Adv. Chem. Phys. 114, 263 (2000).
2. M. Karplus, R. N. Porter, and R. D. Sharma, J. Chem. Phys. 43, 3259 (1965).
3. G. C. Schatz, Theor. Chem. Acc. 103, 270 (2000).
4. E. P. Wigner, Phys. Rev. 40, 749 (1932).
5. O. Prezhdo and V. V. Kisil, Phys. Rev. A 56, 162 (1997).
6. C. C. Martens and J. Y. Fang, J. Chem. Phys. 106, 4918 (1997).
7. E. J. Heller, J. Chem. Phys. 65, 1289 (1976).
8. R. C. Brown and E. J. Heller, J. Chem. Phys. 75, 186 (1981).
9. J. V. Van Vleck, Proc. Natl. Acad. Sci. U.S.A. 14, 178 (1928).
10. M. Gutzwiller, Chaos in Classical and Quantum Mechanics (Springer-Verlag, New York, 1990).
11. W. H. Miller, J. Phys. Chem. A 105, 2942 (2001).
12. M. Herman and E. Kluk, Chem. Phys. 91, 27 (1984).
13. K. G. Kay, J. Chem. Phys. 100, 4377 (1994).
14. R. Gelabert, X. Gimenez, M. Thoss, H. B. Wang, and W. H. Miller, J. Chem. Phys. 114, 2572 (2001).
15. M. L. Brewer, J. S. Hulme, and D. E. Manolopoulos, J. Chem. Phys. 106, 4832 (1997).
16. S. Garashchuk and D. J. Tannor, Chem. Phys. Lett. 262, 477 (1996).
17. F. Grossmann, Phys. Rev. A 60, 1791 (1999).
18. K. Thomson and N. Makri, J. Chem. Phys. 110, 1343 (1999).
19. X. Sun and W. H. Miller, J. Chem. Phys. 110, 6635 (1999).
20. H. B. Wang, D. E. Manolopoulos, and W. H. Miller, J. Chem. Phys. 115, 6317 (2001).
21. S. Garashchuk and J. C. Light, J. Chem. Phys. 114, 1060 (2001).
22. K. Thompson and N. Makri, Phys. Rev. E 59, 4729 (1999).
23. D. Bohm, Phys. Rev. 85, 167 (1952).
24. C. L. Lopreore and R. E. Wyatt, Phys. Rev. Lett. 82, 5190 (1999).
25. R. E. Wyatt and E. R. Bittner, J. Chem. Phys. 113, 8898 (2000).
26. D. Nerukh and J. H. Frederick, Chem. Phys. Lett. 332, 145 (2000).
27. B. K. Dey, A. Askar, and H. Rabitz, J. Chem. Phys. 109, 8770 (1998).
28. R. E. Wyatt and K. Na, Phys. Rev. E 65, 016702 (2002).
29. A. Donoso and C. C. Martens, J. Chem. Phys. 115, 6309 (2002).
30. E. R. Bittner, J. Chem. Phys. 115, 6309 (2002).
31. R. E. Wyatt, C. L. Lopreore, and G. Parlant, J. Chem. Phys. 114, 5113 (2001).
32. P. R. Holland, The Quantum Theory of Motion (Cambridge University Press, Cambridge, 1993).
33. C. Eckart, Phys. Rev. 35, 1303 (1930).
34. A. S. Sanz, F. Borondo, and S. Miret-Artes, J. Phys.: Condens. Matter 14, 6109 (2002).
35. J. C. Burant and J. C. Tully, J. Chem. Phys. 112, 6097 (2000).
36. E. Gindensperger, C. Meier, and J. A. Beswick, J. Chem. Phys. 113, 9369 (2000).
37. W. Press, B. Flannery, S. Teukolsky, and W. Vetterling, Numerical Recipes: The Art of Scientific Computing, 2nd ed. (Cambridge University Press, Cambridge, 1992).
38. C. Leforestier, R. H. Bisselling, C. Cerjan et al. J. Comput. Phys. 94, 59 (1991).
39. M. Tuckerman, B. Berne, and G. Martyna, J. Chem. Phys. 97, 1990 (1992).
40. S. Garashchuk and V. A. Rassolov, Chem. Phys. Lett. 364, 562 (2002).
41. D. J. Tannor and D. E. Weeks, J. Chem. Phys. 98, 3884 (1993).