New algorithm for the rapid evaluation of electron repulsion integrals: Elementary basis algorithm

Chemical Physics Letters

Volumn 388, Issue 1-3, 2004, Pages 50-54

  Nakai, Hiromi ^a   Kobayashi, Masato ^a  

^a WASEDA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHM; ARTICLE; ELECTRON; MATHEMATICAL COMPUTING; NORMAL DISTRIBUTION;

EID: 1842473663     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.02.070     Document Type: Article

References (21)

1. Boys S.F. Proc. R. Soc. London Ser. A. 200:1950;542.
2. Head-Gordon M., Pople J.A. J. Chem. Phys. 89:1988;5777.
3. Ishida K. Int. J. Quantum Chem. 59:1996;209.
4. Yanai T., Ishida K., Nakano H., Hirao K. Int. J. Quantum Chem. 76:2000;396.
5. Obara S., Saika A. J. Chem. Phys. 84:1986;3963.
6. Taketa H., Huzinaga S., O-ohata K. J. Phys. Soc. Jpn. 21:1966;2313.
7. Dupuis M., Rys J., King H.F. J. Chem. Phys. 65:1976;111.
8. McMurchie L.E., Davidson E.R. J. Comput. Phys. 26:1978;218.
9. Pople J.A., Hehre W.J. J. Comput. Phys. 27:1978;161.
10. Hamilton T.P., Schaefer III H.F. Chem. Phys. 150:1991;163.
11. Lindh R., Ryu U., Liu B. J. Chem. Phys. 95:1991;5889.
12. Gill P.M.W., Johnson B.G., Pople J.A. Int. J. Quantum Chem. 40:1991;745.
13. M. Kobayashi, H. Nakai, unpublished
14. Burant J.C., Scuseria G.E., Frisch M.J. J. Chem. Phys. 105:1996;8969.
15. Greengard L. The Rapid Evaluation of Potential Fields in Particle Systems. 1987;MIT Press.
16. White C.A., Head-Gordon M. J. Chem. Phys. 101:1994;6593.
17. Strain M.C., Scuseria G.E., Frisch M.J. Science. 271:1996;51.
18. Kohn W. Phys. Rev. 115:1959;809.
19. Schwegler E., Challacombe M. J. Chem. Phys. 105:1996;2726.
20. Schmidt M.W., Baldridge K.K., Boatz J.A., Elbert S.T., Gordon M.S., Jensen J.J., Koseki S., Matsunaga N., Nguyen K.A., Su S., Windus T.L., Dupuis M., Montgomery J.A. J. Comput. Chem. 14:1993;1347.
21. Takashima H., Kitamura K. Chem. Phys. Lett. 377:2003;43.