Efficient evaluation of accuracy of molecular quantum dynamics using dephasing representation

Journal of Chemical Physics

Volumn 131, Issue 4, 2009, Pages

  Li, Baiqing ^a,b   Mollica, Cesare ^a   Vaníček, Jií ^a  

^a EPFL   (Switzerland)

^b SHANDONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; ACCURACY TEST; DEPHASING; PHOTODISSOCIATION DYNAMICS; QUANTUM DYNAMICS; QUANTUM DYNAMICS CALCULATIONS; QUANTUM FIDELITY; SEMICLASSICAL METHODS; STATIC PROPERTIES;

CODES (SYMBOLS); ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS; PHOTODISSOCIATION; PHOTOLYSIS; QUANTUM THEORY;

DYNAMICS;

EID: 68249124503     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3187240     Document Type: Article

References (18)

1. D. C. Clary, Science 0036-8075 321, 789 (2008). 10.1126/science.1157718
2. N. Makri, Annu. Rev. Phys. Chem. 0066-426X 50, 167 (1999). 10.1146/annurev.physchem.50.1.167
3. W. H. Miller, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 102, 6660 (2005). 10.1073/pnas.0408043102 (Pubitemid 40675373)
4. H. Rabitz, Chem. Rev. (Washington, D.C.) 0009-2665 87, 101 (1987). 10.1021/cr00077a006
5. A. Peres, Phys. Rev. A 1050-2947 30, 1610 (1984). 10.1103/PhysRevA.30. 1610
6. T. Gorin, T. Prosen, T. H. Seligman, and M. Žnidarič, Phys. Rep. 0370-1573 435, 33 (2006). 10.1016/j.physrep.2006.09.003
7. J. Vaníček, Phys. Rev. E 1063-651X 70, 055201 (R) (2004). 10.1103/PhysRevE.70.055201 (Pubitemid 40108174)
8. J. Vaníček, Phys. Rev. E 1063-651X 73, 046204 (2006). 10.1103/PhysRevE.73.046204
9. N. R. Cerruti and S. Tomsovic, Phys. Rev. Lett. 0031-9007 88, 054103 (2002). 10.1103/PhysRevLett.88.054103
10. J. Vaníček and E. J. Heller, Phys. Rev. E 1063-651X 68, 056208 (2003). 10.1103/PhysRevE.68.056208
11. J. Vaníček, e-print arXiv:quant-ph/0410205.
12. J. Vaníček, C. Mollica, T. Prosen, and W. Strunz (unpublished).
13. M. D. Feit, J. J. A. Fleck, and A. Steiger, J. Chem. Phys. 0021-9606 47, 412 (1982).
14. T. Prosen and M. Žnidarič, J. Phys. A 0305-4470 35, 1455 (2002). 10.1088/0305-4470/35/6/309 (Pubitemid 37026731)
15. K. C. Kulander and J. C. Light, J. Chem. Phys. 0021-9606 73, 4337 (1980). 10.1063/1.440716
16. T. Van Voorhis and E. J. Heller, Phys. Rev. A 1050-2947 66, 050501 (R) (2002). 10.1103/PhysRevA.66.050501
17. S. Sato, J. Chem. Phys. 0021-9606 23, 592 (1955). 10.1063/1.1741936
18. B. Li, G. Turinici, V. Ramakrishna, and H. Rabitz, J. Phys. Chem. B 1089-5647 106, 8125 (2002). 10.1021/jp0204657 (Pubitemid 35382917)