The multiconfiguration time-dependent Hartree method generalized to the propagation of density operators

Journal of Chemical Physics

Volumn 111, Issue 19, 1999, Pages 8759-8772

  Raab, A ^b   Burghardt, I ^a,b   Meyer, H D ^b  

^a ECOLE NORMALE SUPÉRIEURE   (France)

^b UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000895243     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480334     Document Type: Article

References (43)

1. M. Berman and R Kosloff, Comput. Phys. Commun. 63, 1 (1991).
2. R. Kosloff and A. D. Hammerich, Faraday Discuss. Chem. Soc. 91, 239 (1991).
3. M. Berman, R. Kosloff, and H. Tal-Ezer, J. Phys. A 25, 1283 (1992).
4. W. T. Pollard and R. A. Friesner, J. Chem. Phys. 100, 5054 (1994).
5. B. Wolfseder and W. Domcke, Chem. Phys. Lett 235, 370 (1995).
6. P. Saalfrank and R. Kosloff, J. Chem. Phys. 105, 2441 (1996).
7. B. Wolfseder and W. Domcke, Chem. Phys. Lett. 259, 113 (1996).
8. T. Gerdts and U. Manthe, J. Chem. Phys. 106, 3017 (1997).
9. I. Burghardt, J. Phys. Chem. A 102, 4192 (1998).
10. W. Huisinga, L. Pesce, R. Kosloff, and P. Saalfrank, J. Chem. Phys. 110, 5538 (1999).
11. H. Guo and R. Chen, J. Chem. Phys. 110, 6626 (1999).
12. K. Blum, Density Matrix Theory and Applications (Plenum, New York, 1981).
13. K. Lindenberg and B. J. West, The Nonequilibrium Statistical Mechanics of Open and Closed Systems (VCH, New York, 1990).
14. N. G. Van Kampen, Stochastic Processes in Physics and Chemistry (North Holland, Amsterdam, 1992).
15. G. Lindblad, Commun. Math. Phys. 48, 119 (1976).
16. V. Gorini, A. Kossakowski, and E. C. G. Sudarshan, J. Math. Phys. 17, 821 (1976).
17. E. Christensen and D. E. Evans, J. Lon. Math. Soc. 20, 358 (1979).
18. A. G. Redfield, Adv. Magn. Reson. 1, 1 (1965).
19. A. O. Caldeira and A. J. Leggett, Physica A 121, 587 (1983).
20. U. Manthe, H.-D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 97, 3199 (1992).
21. J.-Y. Fang and H. Guo, J. Chem. Phys. 101, 5831 (1994).
22. M. Ehara, H.-D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 105, 8865 (1996).
23. M. H. Beck and H.-D. Meyer, Z. Phys. D 42, 113 (1997).
24. R. Milot and A. P. J. Jansen, J. Chem. Phys. 109, 1966 (1998).
25. G. Worth, H.-D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 109, 3518 (1998).
26. A. Raab, G. Worth, H.-D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 110, 936 (1999).
27. M. H. Beck, A. Jäckle, G. A. Worth, and H.-D. Meyer, Phys. Rep. (in press).
28. M. Reed, and B. Simon, Methods of Modern Mathematical Physics (Academic, New York, 1972).
29. E. Fick and G. Sauermann, The Quantum Statistics of Dynamic Processes (Springer, Berlin, 1990).
30. P. A. M. Dirac, Proc. Cambridge Philos. Soc. 26, 376 (1930).
31. A. D. McLachlan, Mol. Phys. 8, 39 (1964).
32. E. J. Heller, J. Chem. Phys. 64, 63 (1976).
33. A. Raab and H.-D. Meyer (unpublished).
34. L. Seidner, G. Stock, A. L. Sobolewski, and W. Domcke, J. Chem. Phys. 96, 5298 (1992).
35. C. Woywood, W. Domcke, A. L. Sobolewski, and H.-J. Werner, J. Chem. Phys. 100, 1400 (1994).
36. K. K. Innes, I. G. Ross, and W. R. Moonaw, J. Mol. Spectrosc. 132, 492 (1988).
37. W. Domcke and G. Stock, Adv. Chem. Phys. 100, 1 (1997).
38. G. Worth, H.-D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 105, 4412 (1996).
39. U. Manthe, Ph.D. thesis, Universität Heidelberg, 1991.
40. V. Engel, Chem. Phys. Lett. 189, 76 (1992).
41. U. Manthe, H.-D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 97, 9062 (1992).
42. 2.
43. I. Burghardt, H.-D. Meyer, and L. S. Cederbaum, J. Chem. Phys. (in press).