Multireference configuration interaction based electronic Floquet states for molecules in an intense radiation field: Theory and application to Li 2 +

Journal of Chemical Physics

Volumn 122, Issue 9, 2005, Pages

  Khait, Yuriy G ^a   Azenkeng, Alexander ^a   Wang, Hefeng ^a   Dudley, Timothy J ^a   Hoffmann, Mark R ^a  

^a UNIVERSITY OF NORTH DAKOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONFIGURATION STATE FUNCTION (CSF); FLOQUET SYSTEMS; LASER FIELDS; MULTIREFERENCE CONFIGURATION INTERACTION (MR-CI);

COMPUTATIONAL METHODS; COMPUTER PROGRAMMING; ELECTRONIC STRUCTURE; FUNCTIONS; LASERS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE;

RADIATION EFFECTS;

EID: 22944488570     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1856452     Document Type: Article

References (44)

1. S.A. Rice and M. Zhao, Optical Control of Molecular Dynamics (Wiley, New York, 2000).
2. R. J. Levis and H. A. Rabitz, J. Phys. Chem. A 106, 6427 (2002).
3. S.-I. Chu, Adv. Chem. Phys. 73, 739 (1989).
4. J.E. Bayfield, Quantum Evaluation: An Introduction to Time-Dependent Quantum Mechanics (Wiley, New York, 1999).
5. I. Horenko, B. Schmidt, and C. Schütte, J. Chem. Phys. 115, 5733 (2001).
6. J. H. Shirley, Phys. Rev. B 138, 979 (1965).
7. Ya. B. Zel'dovich, Sov. Phys. JETP 24, 1006 (1967).
8. S. Guerin, F. Monti, J.-M. Dupont, and H. R. Jauslin, J. Phys. A 30, 7193 (1997).
9. K. Dietz, M. Pröbsting, and L. Jaeger, J. Chem. Phys. 104, 8943 (1996).
10. S. Guerin and H. R. Jauslin, Eur. Phys. J. D 2, 99 (1998).
11. K. Drese and M. Holthaus, Eur. Phys. J. D 3, 73 (1998).
12. K. Drese and M. Holthaus, Eur. Phys. J. D 5, 119 (1999).
13. R. Unanyan, S. Guerin, B. W. Shore, and K. Bergmann, Eur. Phys. J. D 8, 443 (2000).
14. H. Sambe, Phys. Rev. A 7, 2203 (1973).
15. Y.G. Khait and M.R. Hoffmann, in Accurate Description of Low-Lying Electronic States and Potential Energy Surfaces, ACS Books Symposium, Vol. 828, edited by, M. R. Hoffmann, and, K. G. Dyall, (American Chemical Society, Washington, D.C., 2002), pp. 176-198.
16. Y. G. Khait, J. Song, and M. R. Hoffmann, Int. J. Quantum Chem. 99, 210 (2004).
17. G. Jolicard and O. Atabek, Phys. Rev. A 46, 5845 (1992).
18. A. Giusti-Suzor, F. H. Mies, L. F. DiMauro, E. Charron, and B. Yang, J. Phys. B 28, 309 (1995).
19. M. Machholm and A. Suzor-Weiner, J. Chem. Phys. 105, 971 (1996).
20. S. Magnier, M. Persico, and N. Rahman, J. Phys. Chem. A 103, 10691 (1999).
21. I. Kawata, H. Kono, and A. D. Bandrauk, Phys. Rev. A 64, 043411 (2001).
22. I. Kawata, A. D. Bandrauk, H. Kono, and Y. Fujimura, Laser Phys. 11, 188 (2001).
23. K. Dietz, C. Schmidt, and M. Warken, J. Chem. Phys. 102, 1718 (1995).
24. M. Kolbuszewski, J. S. Wright, and R. J. Buenker, J. Chem. Phys. 102, 7519 (1995).
25. B.O. Roos, in Ab Initio Methods in Quantum Chemistry II, edited by, K. P. Lawley, (Wiley, Chichester, UK, 1987), pp. 399-445.
26. J. Paldus, in The Unitary Group for the Evaluation of Electronic Energy Matrix Elements, Lecture Notes in Chemistry Vol. 22, edited by, J. Hinze, (Springer, Berlin, 1981), pp. 1-50.
27. I. Shavitt, in The Unitary Group for the Evaluation of Electronic Energy Matrix Elements, Lecture Notes in Chemistry Vol. 22, edited by, J. Hinze, (Springer, Berlin, 1981), pp. 51-99.
28. S. Krebs and R. J. Buenker, J. Chem. Phys. 103, 5613 (1995).
29. Y. G. Khait, J. Song, and M. R. Hoffmann, J. Chem. Phys. 117, 4133 (2002).
30. Y. G. Khait, J. Song, and M. R. Hoffmann, Chem. Phys. Lett. 372, 674 (2003).
31. Y. G. Khait and M. R. Hoffmann, Int. J. Quantum Chem. 81, 130 (2001).
32. R. Pauncz, The Construction of Spin Eigenfunctions (An Exercise Book) (Plenum, New York, 2000).
33. I. Schmidt-Mink, W. Müller, and W. Meyer, Chem. Phys. 92, 263 (1985).
34. S. Magnier, S. Rousseau, A. R. Allouche, G. Hadinger, and M. Aubert-Frécon, Chem. Phys. Lett. 246, 57 (1999).
35. R. A. Bernheim, L. P. Gold, and T. Tipton, Chem. Phys. Lett. 92, 13 (1982).
36. D. Eisel, W. Demtröder, W. Müller, and P. Botschwina, Chem. Phys. 80, 329 (1983).
37. R. A. Bernheim, L. P. Gold, and T. Tipton, Chem. Phys. Lett. 105, 201 (1984).
38. R. Uberna, Z. Amitay, C. X. W. Qian, and S. R. Leone, J. Chem. Phys. 114, 10311 (2001).
39. D. E. Woon and T. H. Dunning, J. Chem. Phys. 103, 4572 (1995).
40. S.E. Wheeler, K.W. Sattelmeyer, P.R. Schleyer, and H.F. Schaefer (private communication).
41. C.E. Moore, Atomic Energy Levels, Nat. Bur. Stand. (U.S.) Circ. No. 467 (U.S. GPO, Washington, D.C., 1949), Vol. 1.
42. A. Yiannopoulou, G. Jeung, S. Park, H. Lee, and Y. Lee, Phys. Rev. A 59, 1178 (1999).
43. M. R. Hoffmann, C. D. Sherill, M. L. Leininger, and H. F. Schaefer, Chem. Phys. Lett. 355, 183 (2002).
44. G. Herzberg, Molecular Spectra and Molecular Structure: I. Diatomic Molecules (Krieger, New York, 1989).