Calculation of reaction rate constants using approximate evolution of quantum trajectories in imaginary and real time

Chemical Physics Letters

Volumn 491, Issue 1-3, 2010, Pages 96-101

  Garashchuk, Sophya ^a  

^a UNIVERSITY OF SOUTH CAROLINA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOLTZMANN; ECKART BARRIER; EIGENVECTORS; GAUSSIANS; HAMILTONIAN OPERATORS; PARABOLIC BARRIERS; QUANTUM POTENTIALS; QUANTUM TRAJECTORIES; QUANTUM-MECHANICAL EFFECTS; REAL TIME; REAL-TIME DYNAMICS;

EIGENVALUES AND EIGENFUNCTIONS; MATHEMATICAL OPERATORS; QUANTUM CHEMISTRY;

RATE CONSTANTS;

EID: 77951099001     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.03.091     Document Type: Article

References (30)

1. Miller W.H., Schwartz S.D., and Tromp J.W. J. Chem. Phys. 79 (1983) 4889
2. Park T.J., and Light J.C. J. Chem. Phys. 88 (1988) 4897
3. Seideman T., and Miller W.H. J. Chem. Phys. 95 (1991) 1768
4. Zhang D.H., and Light J.C. J. Chem. Phys. 104 (1996) 6184
5. Light J.C., and Zhang D.H. Faraday Discuss. 110 (1998) 105
6. Garashchuk S., and Vazhappilly T. J. Chem. Phys. 131 (2009) 164108 p. 7
7. Arfken G. Mathematical Methods for Physicists (1985), Academic Press
8. Pollak E. J. Chem. Phys. 107 (1997) 64
9. Heller E.J. J. Chem. Phys. 62 (1975) 1544
10. Heller E.J. J. Chem. Phys. 75 (1981) 2923
11. Brown R.C., and Heller E.J. J. Chem. Phys. 75 (1981) 186
12. Herman M.F., and Kluk E. Chem. Phys. 91 (1984) 27
13. Kay K.G. J. Chem. Phys. 100 (1994) 4377
14. Garashchuk S., and Rassolov V.A. J. Chem. Phys. 120 (2004) 1181
15. Garashchuk S. J. Chem. Phys. 132 (2010)
16. Garashchuk S., and Rassolov V.A. J. Chem. Phys. 121 (2004) 8711
17. Garashchuk S. J. Phys. Chem. A 113 (2009) 4451
18. Madelung E. Z. Phys. 40 (1926) 322
19. Bohm D. Phys. Rev. 85 (1952) 166
20. Garashchuk S., and Rassolov V.A. Chem. Phys. Lett. 376 (2003) 358
21. Miller W.H. J. Chem. Phys. 55 (1971) 3146
22. Makri N., and Miller W.H. J. Chem. Phys. 116 (2002) 9207
23. Liu J., and Makri N. Mol. Phys. 103 (2005) 1083
24. Goldfarb Y., Degani I., and Tannor D.J. Chem. Phys. 338 (2007) 106
25. Press W.H., Flannery B.P., Teukolsky S.A., and Vetterling W.T. Numerical Recipes: the Art of Scientific Computing. second edn. (1992), Cambridge University Press, Cambridge
26. Yamamoto T., Wang H., and Miller W.H. J. Chem. Phys. 116 (2002) 7335
27. Eckart C. Phys. Rev. 35 (1930) 1303
28. Landau L.D., and Lifshitz E.M. Quantum Mechanics (1999), Butterworth-Heinemann, Oxford, UK
29. Feit M.D., Fleck Jr. J.A., and Steiger A. J. Comp. Phys. 47 (1982) 412
30. Goldfarb Y., Degani I., and Tannor D.J. J. Chem. Phys. 125 (2006) 231103