Table-CI with macroconfiguration approach for describing electronic states of molecules in intense radiation fields

International Journal of Quantum Chemistry

Volumn 105, Issue 6, 2005, Pages 921-928

  Khait, Yuriy G ^a,b   Hoffmann, Mark R ^a  

^a UNIVERSITY OF NORTH DAKOTA   (United States)

^b Prikladnaya Khimiya Russian Scientific Center   (Russian Federation)

Author keywords

Floquet states; Macroconfigurations; Table CI

Indexed keywords

FLOQUET STATES; MACROCONFIGURATIONS; RADIATION FIELDS; TABLE-CI;

ALGORITHMS; ELECTRIC FIELDS; MATRIX ALGEBRA;

ELECTRONIC STRUCTURE;

EID: 30544447731     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20769     Document Type: Conference Paper

References (26)

1. Rice, S. A.; Zhao, M. Optical Control of Molecular Dynamics; John Wiley & Sons: New York, 2000.
2. Levis, R. J.; Rabitz, H. A. J Phys Chem A 2002, 106, 6427.
3. Chu, S-I. Adv Chem Phys 1989, 73, 739.
4. Bayfield, J. E. Quantum Evolution: An Introduction to Time-Dependent Quantum Mechanics; John Wiley & Sons: New York, 1999.
5. Horenko, I.; Schmidt, B.; Schütte, C. J Chem Phys 2001, 115, 5733.
6. Dietz, K.; Pröbsting, M.; Jaeger, L. J Chem Phys 1996, 104, 8943.
7. Khait, Y. G.; Azenkeng, A.; Wang, H.; Dudley, T. J.; Hoffmann, M. R. J Chem Phys 2005, 122, 094111-1.
8. Paldus, J. In The Unitary Group for the Evaluation of Electronic Energy Matrix Elements; Hinze, J., Ed.; Lecture Notes in Chemistry; Springer: Berlin, 1981; Vol 22, p 1.
9. Shavitt, I. In The Unitary Group for the Evaluation of Electronic Energy Matrix Elements; Hinze, J., Ed.; Lecture Notes in Chemistry; Springer: Berlin, 1981; Vol 22; p 51.
10. Roos, B. O. In Ab Initio Methods in Quantum Chemistry II; Lawley, K. P., Ed.; Wiley: Chichester, UK, 1987; p 399.
11. Khait, Y. G.; Song, J.; Hoffmann, M. R. J Chem Phys 2002, 117, 4133.
12. Khait, Y. G.; Song, J.; Hoffmann, M. R. Chem Phys Lett 2003, 372, 674.
13. Dietz, K.; Schmidt, C.; Warken, M. J Chem Phys 1995, 102, 1718.
14. Guerin, S.; Monti, F.; Dupont, J.-M.; Jauslin, H. R. J Phys A 1997, 30, 7193.
15. Pauncz, R. The Construction of Spin Eigenfunctions (An Exercise Book); Plenum: New York, 2000.
16. Sherrill, C. D.; Schaefer, H. F., III. Adv Quantum Chem 1999, 34, 143.
17. Buenker, R. J. In Molecular Physics and Quantum Chemistry into the 1980's; Burton, P. G., Ed.; University of Wollongong Press: Wollongong, Australia, 1980; p 1.5.1.
18. Krebs, S.; Buenker, R. J. J Chem Phys 1995, 103, 5613.
19. Khait, Y. G.; Hoffmann, M. R. In Accurate Description of Low-Lying Electronic States and Potential Energy Surfaces; ACS Books Symposium Series 828; Hoffmann, M. R.; Dyall, K. G., Eds.; American Chemical Society Press: Washington, DC, 2002; p 176.
20. Harris, F. E. J Chem Phys 1967, 46, 2769.
21. Shavitt, I. In Methods of Electronic Structure Theory; Schaefer, H. F., III, Ed.; Plenum: New York, 1977; p 189.
22. Walch, S. P.; Bauschlicher, C. W., Jr.; Roos, B. O.; Nelin, C. J. Chem Phys Lett 1983, 103, 175.
23. Khait, Y. G.; Song, J.; Hoffmann, M. R. Int J Quantum Chem 2004, 99, 210.
24. Song, J.; Khait, Y. G.; Hoffmann, M. R. J Chem Phys 2003, 118, 10065.
25. Pandey, R. R.; Khait, Y. G.; Hoffmann, M. R. J Phys Chem A 2004, 108, 3119.
26. Panin, A. I.; Simon, K. V. Int J Quantum Chem 1996, 59, 471.