A semiclassical approach to intense-field above-threshold dissociation in the long wavelength limit. II. Conservation principles and coherence in surface hopping

Journal of Chemical Physics

Volumn 109, Issue 14, 1998, Pages 5747-5760

  Thachuk, Mark ^a   Ivanov, M Yu ^b   Wardlaw, David M ^c  

^a UNIVERSITY OF BRITISH COLUMBIA   (Canada)

^b NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^c QUEEN S UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000166412     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.477197     Document Type: Article

References (25)

1. M. Thachuk, M. Yu. Ivanov, and D. Wardlaw, J. Chem. Phys. 105, 4094 (1996).
2. E. E. Nitikin, Theory of Elementary Atomic and Molecular Processes in Gases (Claredon, Oxford, 1974), Chap. 1.
3. J. C. Tully, J. Chem. Phys. 93, 1061 (1990).
4. S. Hammes-Schiffer and J. C. Tully, J. Chem. Phys. 101, 4657 (1994).
5. See, e.g., D. M. Villeneuve, M. Yu. Ivanov, and P. B. Corkum, Phys. Rev. A 54, 736 (1996).
6. M. Thachuk and D. M. Wardlaw, J. Chem. Phys. 102, 7462 (1995);
7. Wing-Ki Liu, Binruo Wu, and Jian-Min Yuan, Phys. Rev. Lett. 75, 1292 (1995), and references therein.
8. See, e.g., Molecules in Laser Fields, edited by A. D. Bandrauk (Marcel Dekker, New York, 1994).
9. See, e.g., E. Charron, A. Giusti-Suzor, and F. H. Mies, Phys. Rev. Lett. 75, 2815 (1995).
10. M. Brewczyk, K. Rzazewski, and C. W. Clark, Phys. Rev. Lett. 78, 191 (1997).
11. S. Chelkowski, T. Zuo, O. Atabek, and A. D. Bandrauk, Phys. Rev. A 52, 2977 (1995);
12. S. Chelkowski, A. Conjusteau, T. Zuo, and A. D. Bandrauk, 54, 3235 (1996).
13. K. C. Kulander, F. H. Mies, and K. J. Schafer, Phys. Rev. A 53, 2562 (1996);
14. S. Chelkowski, C. Foisy, and A. D. Bandrauk, Int. J. Quant. Chem. 65, 503 (1997).
15. T. E. Sharp, At. Data 2, 119 (1971).
16. A. D. Pradhan, K. P. Kirby, and A. Dalgarno, J. Chem. Phys. 95, 9009 (1991).
17. F. A. Ilkov, T. D. G. Walsh, S. Turgeon, and S. L. Chin, Phys. Rev. A 51, R2695 (1995);
18. F. A. Ilkov, S. Turgeon, T. D. G. Walsh, and S. L. Chin, Chem. Phys. Lett. 247, 1 (1995).
19. P. Cattaneo and M. Persico, J. Phys. Chem. A 101, 3454 (1997).
20. L. D. Landau and E. M. Lifshitz, Quantum Mechanics, Nonrelativistic Theory, 3rd ed. (Pergamon, Oxford, 1977).
21. B. J. Schwartz, E. R. Bittner, O. V. Prezhdo, and P. J. Rossky, J. Chem. Phys. 104, 5942 (1996);
22. E. R. Bittner and P. J. Rossky, 103, 8130 (1995).
23. U. Müller and G. Stock, J. Chem. Phys. 108, 7516 (1998);
24. G. Stock and M. Thoss, Phys. Rev. Lett. 78, 578 (1997).
25. †, a) and the associated position and momentum operators (X, P). One next exploits the fact that the Heisenberg equations of motion for (X, P) have a well defined classical analogue, namely, Hamilton's equations. Thus, both the quantum degrees of freedom described by (X,P) and the classical degrees of freedom described by (x, p) have equations of motion of the same form, and are on equal footing. Practical numerical implementations are launched from this point. These authors point out that the surface hopping method and their classical mapping approach suffer from different fundamental problems arising from the imposition of classical descriptions in different frameworks. At the time of writing, no formal comparative analysis or comparison of numerical predictions for a given system had been carried out. Furthermore, the development of Ref. 18 is confined to field-free, time-independent systems.