Possible use of genealogical spin-adapted functions in the table-CI method

International Journal of Quantum Chemistry

Volumn 81, Issue 2, 2001, Pages 130-134

  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

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; ELECTRONIC STRUCTURE; FUNCTIONS; MATHEMATICAL MODELS; MATRIX ALGEBRA; QUANTUM THEORY;

SPIN-ADAPTED FUNCTIONS;

MOLECULAR STRUCTURE;

EID: 0035154471     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/1097-461X(2001)81:2<130::AID-QUA3>3.0.CO;2-Y     Document Type: Article

References (16)

1. Paldus, J. J Chem Phys 1974, 61, 5321; Phys Rev A 1976, 14, 1620.
2. Paldus, J. J Chem Phys 1974, 61, 5321; Phys Rev A 1976, 14, 1620.
3. Shavitt, I. Int J Quantum Chem Symp 1977, 11, 131.
4. Duch, W.; Karwowski, J. Theor Chim Acta 1987, 71, 187.
5. Buenker, R. J. In Molecular Physics and Quantum Chemistry into the 1980's; Burton, P. G., Ed.; University of Wollongong Press: Wollongong, Australia, 1980; pp. 1.5.1-1.5.37.
6. Buenker, R. J. Studies in Physical and Theoretical Chemistry, Vol. 21; Elsevier: Amsterdam, 1982; pp. 17-34.
7. Buenker, R. J.; Phillips, R. A. J Mol Struct (Theochem) 1985, 123, 291.
8. Krebs, S.; Buenker, R. J. J Chem Phys 1995, 103, 5613.
9. Khait, Yu. G.; Hoffmann, M. R. J Chem Phys 1998, 108, 8317.
10. McWeeny, R.; Sutcliffe, B. T. Methods of Molecular Quantum Mechanics; Academic: London, 1969.
11. Harris, F. E. In Energy, Structure and Reactivity; Smith, D. W.; McRae, W. B., Eds.; Wiley: New York, 1973; p. 112.
12. Segal, G. A.; Wetmore, R. W.; Wolf, K. Chem Phys 1978, 30, 269.
13. Grabenstetter, J. E.; Tseng, T. J.; Grein, F. Int J Quantum Chem 1976, 10, 143.
14. Bunge, A. J Chem Phys 1970, 53, 20.
15. Davidson, E. R. Int J Quantum Chem 1974, 8, 61.
16. Buenker, R. J.; Peyerimhoff, S. D. Theor Chim Acta 1968, 12, 183.