N-state adiabatic-to-diabatic transformation angle: Theory and application

Journal of Physical Chemistry A

Volumn 109, Issue 15, 2005, Pages 3476-3484

  Vertesi T ^a   Bene, E ^b   Vibok A ^a   Halasz G J ^a   Baer, M ^c  

^a UNIVERSITY OF DEBRECEN   (Hungary)

^b CHEMICAL RESEARCH CENTER   (Hungary)

^c HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

DIFFERENTIAL EQUATIONS; ELECTRONIC PROPERTIES; MATHEMATICAL MODELS; MATHEMATICAL OPERATORS; MATHEMATICAL TRANSFORMATIONS; MATRIX ALGEBRA; MOLECULAR STRUCTURE; QUANTUM THEORY; TOPOLOGY;

DIABATIZATION PROCEDURES; HILBERT SUBSPACE; NON-ADIABATIC PROCESSES; TRANSFORMATION ANGLE;

THERMODYNAMICS;

EID: 18144428352     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp044195z     Document Type: Article

References (41)

1. Baer, M., Billing, G. D., Eds. The Role of Degenerate States in Chemistry, Advances in Chemical Physics 124; John Wiley & Sons: New York, 2002.
2. Kuppermann, A. In Dynamics of Molecules and Chemical Reactions; Wyatt, R. E., Zhang, J. Z. H., Eds.; Marcel Dekker: New York, 1996, p 411.
3. Kuppermann, A.; Abrol, R. Adv. Chem. Phys. 2002, 124, 283.
4. McGuire, P.; Bellum, J. C. J. Chem. Phys. 1979, 71, 1975.
5. Rebentrost, F. In Theoretical Chemistry: Advances and Perspectives; Henderson, D., Eyring, H., Eds.; Academic Press: New York, 1981; Vol. II, p 32.
6. Sidis, V. Adv. Chem. Phys. 1992, 82, 73 (Vol. II).
7. Pacher, T.; Cederbaum, L. S.; Köppel, H. Adv. Chem. Phys. 1993, 84, 293.
8. Koppel, H. Faraday Discuss. 2004, 127, 35.
9. Kryachko, E. S. Adv. Quantum Chem. 2003, 44, 119.
10. Petrongolo, C.; Hirsch, G.; Buenker, R. Mol. Phys. 1990, 70, 825; 835.
11. Baragan, P.; Errea, L. F.; Marias, A.; Mendez, L.; Rabadan, I.; Riera, A.; Lucas, J. M.; Aguilar, A. J. Chem. Phys. 2004, 121, 11629.
12. Romero, T.; Aguilar, A.; Gadea, F. X. J. Chem. Phys. 1999, 110, 6219.
13. Child, M. S. Adv. Chem. Phys. 2002, 124, 1.
14. Adhikari, S.; Billing, G. D. Adv. Chem. Phys. 2002, 124, 143.
15. Worth, G. A.; Robb, M. A. Adv. Chem. Phys. 2002, 124, 355.
16. Billing, G. D.; Baer, M.; Mebel, A. M. Chem. Phys. Lett. 2003, 372, 1.
17. Baer, M.; Lin, S. H.; Alijah, A.; Adhikari, S.; Billing, G. D. Phys. Rev. A 2000, 62, 032506-1.
18. (a) Baer, M. Adv. Chem. Phys. 2002, 124, 39.
19. (b) Baer, M. In Theory of Chemical Reaction Dynamics; Baer, M., Ed.; CRC: Boca Raton, FL, 1985; Vol. II, Chapter 4.
20. Englman, R.; Yahalom, Y. Adv. Chem. Phys. 2002, 124, 197.
21. Baer, M.; Vertesi, T.; Halasz, G. J.; Vibok, A. J. Phys. Chem. 2004, 108, 9134.
22. (a) Baer, M. Chem. Phys. Lett. 1975, 35, 112.
23. (b) Baer, M. Chem. Phys. 1976, 15, 49.
24. (c) Baer, M. Mol. Phys. 1980, 40, 1011.
25. Baer, M.; Alijah, A. Chem. Phys. Lett. 2000, 319, 489.
26. Baer, M. J. Phys. Chem. A 2001, 105, 2198.
27. Baer, M. Chem. Phys. Lett. 2000, 329, 450.
28. (a) Top, Z. H.; Baer, M. J. Chem. Phys. 1977, 66, 1363.
29. (b) Alijah, A.; Baer, M. J. Phys. Chem. A 2000, 104, 389.
30. Mebel, A. M.; Halasz, G. J.; Vibok, A.; Alijah, A.; Baer, M. J. Chem. Phys. 2002, 117, 991.
31. Baer, M.; Englman, R. Chem. Phys. Lett. 2001, 335, 85.
32. Baer, M.; Vertesi, T.; Halasz, G. J.; Vibok, A.; Suhai, S. Faraday Discuss. 2004, 127, 337.
33. (a) Krishnan, R.; Frisch, M.; Pople, J. A. J. Chem. Phys. 1980, 72, 4244.
34. (b) Feller, D. F.; Ruedenberg, K. Theor. Chim. Acta 1978, 52, 231.
35. (a) Halasz, G. J.; Vibok, A.; Mebel, A. M.; Baer, M. J. Chem. Phys. 2003, 118, 3052.
36. Halasz, G. J.; Vibok, A.; Mebel, A. M.; Baer, M. Chem. Phys. Lett. 2002, 358, 163.
37. Abrol, R.; Kuppermann, A. J. Chem. Phys. 2002, 116, 1035.
38. Baer, M.; Yahalom, A.; Englman, R. J. Chem. Phys. 1998, 109, 6550.
39. Englman, R.; Yahalom, A.; Baer, M. Phys. Lett. A 1999, 251, 223.
40. Vertesi, T.; Vibok, A.; Halasz, G. J.; Baer, M. J. Phys. B 2004, 37 4603.
41. Vertesi, T.; Vibok, A.; Halasz, G. J.; Baer, M. J. Chem. Phys. 2004, 120, 2565.