Investigation of the dynamics of two coupled oscillators with mixed quantum-classical methods

Journal of Chemical Physics

Volumn 124, Issue 18, 2006, Pages

  Li, Jingrui ^a   Woywod, Clemens ^a   Vallet, Valérie ^b   Meier, Christoph ^c  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

^c UNIVERSITÉ DE TOULOUSE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CONTINUUM MECHANICS; HARMONIC ANALYSIS; MATHEMATICAL MODELS; NONLINEAR EQUATIONS; POTENTIAL ENERGY; QUANTUM THEORY; TRAJECTORIES;

ANHARMONIC POTENTIAL ENERGY; COUPLED SCHRÖDINGER EQUATIONS (CSE); MIXED QUANTUM-CLASSICAL BOHMIAN (MQCB); QUANTUM MECHANICAL CALCULATIONS;

OSCILLATORS (MECHANICAL);

ALGORITHM; ARTICLE; BIOMECHANICS; ENERGY TRANSFER; QUANTUM THEORY; SPECTROSCOPY; THERMODYNAMICS; TIME;

ALGORITHMS; BIOMECHANICS; ENERGY TRANSFER; QUANTUM THEORY; SPECTRUM ANALYSIS; THERMODYNAMICS; TIME FACTORS;

EID: 34547649292     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2196408     Document Type: Article

References (27)

1. Femtosecond Chemistry, edited by, J. Manz, and, L. Wöste, (Wiley-VCH, Weinheim, 1994).
2. Femtochemistry, edited by, M. Chergui, (World Scientific, Singapore, 1996).
3. W. Domcke and G. Stock, Adv. Chem. Phys. 100, 1 (1997).
4. A. Migani, A. Sinicropi, N. Ferŕ, A. Cembran, M. Garavelli, and M. Olivucci, Faraday Discuss. 127, 179 (2004).
5. L. M. Raff and D. L. Thompson, in Theory of Chemical Reaction Dynamics, edited by, M. Baer, (CRC, Boca Raton, FL, 1985), Vol. 3.
6. Advances in Classical Trajectory Methods, edited by, W. L. Hase, (Jai, London, 1992).
7. M. H. Beck, A. Jäckle, G. A. Worth, and H.-D. Meyer, Phys. Rep. 324, 1 (2000).
8. S. Chapman, Adv. Chem. Phys. 82, 423 (1992).
9. D. F. Coker, in Computer Simulations in Chemical Physics, edited by, M. P. Allen, and, D. J. Tildesley, (Kluwer, Dordrecht, 1993), p. 315.
10. P. Ehrenfest, J. Chem. Phys. 45, 455 (1927).
11. W. H. Miller and C. W. McCurdy, J. Chem. Phys. 69, 5169 (1978).
12. S. Sawada and H. Metiu, J. Chem. Phys. 84, 227 (1986).
13. E. Madelung, Z. Phys. 40, 322 (1926).
14. L. de Broglie, C. R. Acad. Sci. URSS, Ser. A 183, 447 (1926).
15. D. Bohm, Phys. Rev. 85, 167 (1952).
16. E. Gindensperger, C. Meier, and J. A. Beswick, J. Chem. Phys. 113, 9369 (2000).
17. E. Gindensperger, C. Meier, and J. A. Beswick, J. Chem. Phys. 116, 8 (2002).
18. E. Gindensperger, C. Meier, J. A. Beswick, and M.-C. Heitz, J. Chem. Phys. 116, 10051 (2002).
19. D. Kohen, F. H. Stillinger, and J. C. Tully, J. Chem. Phys. 109, 4713 (1998).
20. H. Köppel, W. Domcke, and L. S. Cederbaum, Adv. Chem. Phys. 57, 59 (1984).
21. C. A. Mead and D. G. Truhlar, J. Chem. Phys. 70, 2284 (1979).
22. See EPAPS Document No. E-JCPSA6-124-009617 for details of the basis set transformation. This document can be reached via a direct link in the online article's HTML reference section or via the EPAPS homepage (http://www.aip.org/ pubservs/epaps.html).
23. E. Yurtsever and J. Brickmann, Ber. Bunsenges. Phys. Chem. 98, 554 (1994).
24. T. Gunkel, H.-J. Bär, M. Engel, E. Yurtsever, and J. Brickmann, Ber. Bunsenges. Phys. Chem. 98, 1552 (1994).
25. E. Gindensperger, C. Meier, and J. A. Beswick, Adv. Quantum Chem. 47, 331 (2004).
26. F. Sales-Mayor, A. Askar, and H. Rabitz, J. Chem. Phys. 111, 2423 (1999).
27. J. C. Tully, J. Chem. Phys. 93, 1061 (1990).