Rigorous algorithm for the electron repulsion integral over the generally contracted solid harmonic Gaussian-type orbitals

Journal of Chemical Physics

Volumn 113, Issue 18, 2000, Pages 7818-7829

  Ishida, Kazuhiro ^a  

^a TOKYO UNIVERSITY OF SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; ELECTRON REFLECTION; HARMONIC GENERATION; INTEGRAL EQUATIONS; NUMERICAL ANALYSIS;

ELECTRON REPULSION INTEGRAL (ERI);

MOLECULAR PHYSICS;

EID: 0034322832     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1316013     Document Type: Article

References (19)

1. R. C. Raffenetti, J. Chem. Phys. 58, 4452 (1973).
2. J. Almloef and P. R. Taylor, J. Chem. Phys. 86, 4070 (1987).
3. J. Almloef, T. Helgaker, and P. R. Taylor, J. Phys. Chem. 92, 3029 (1988).
4. J. Almloef and P. R. Taylor, J. Chem. Phys. 92, 551 (1990).
5. P-O. Widmark, P-A. Malmqvist, and B. O. Roos, Theor. Chim. Acta 77, 291 (1990).
6. P-O. Widmark, B. J. Persson, and B. O. Róos, Theor. Chim. Acta 79, 419 (1991).
7. K. Ishida, Int. J. Quantum Chem. 59, 209 (1996).
8. K. Ishida, J. Chem. Phys. 109, 881 (1998).
9. K. Ishida, J. Comput. Chem. 19, 923 (1998).
10. T. Yanai, K. Ishida, H. Nakano, and K. Hirao, Int. J. Quantum Chem. (in press).
11. For example, see (a) T. R. Adams, R. D. Adamson, and P. M. W. Gill, J. Chem. Phys. 107, 124 (1997); (b) G. E. Scuseria and P. Y. Ayala, ibid. 111, 8330 (1999); and (c) E. Schwegler and M. Challacombe, ibid. 111, 6223 (1999).
12. For example, see (a) T. R. Adams, R. D. Adamson, and P. M. W. Gill, J. Chem. Phys. 107, 124 (1997); (b) G. E. Scuseria and P. Y. Ayala, ibid. 111, 8330 (1999); and (c) E. Schwegler and M. Challacombe, ibid. 111, 6223 (1999).
13. For example, see (a) T. R. Adams, R. D. Adamson, and P. M. W. Gill, J. Chem. Phys. 107, 124 (1997); (b) G. E. Scuseria and P. Y. Ayala, ibid. 111, 8330 (1999); and (c) E. Schwegler and M. Challacombe, ibid. 111, 6223 (1999).
14. M. Head-Gordon and J. A. Pople, J. Chem. Phys. 89, 5777 (1988).
15. K. Ishida, J. Chem. Phys. 98, 2176 (1993).
16. R. Lindh, U. Ryu, and B. Liu, J. Chem. Phys. 95, 5889 (1991).
17. T. P. Hamilton and H. F. Schaefer III, Chem. Phys. 150, 163 (1991).
18. K. Ishida, J. Chem. Phys. 111, 4913 (1999).
19. For example, see I. Shavitt, Methods in Computational Physics, edited by B. Alder, S. Fernbach, and M. Rotenberg (Academic, New York, 1963), Vol. 2, p. 1.