ACE algorithm for the rapid evaluation of the electron-repulsion integral over Gaussian-type orbitals

International Journal of Quantum Chemistry

Volumn 59, Issue 3, 1996, Pages 209-218

  Ishida, Kazuhiro ^a  

^a TOKYO UNIVERSITY OF SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002064421     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1996)59:3<209::AID-QUA4>3.0.CO;2-1     Document Type: Article

References (18)

1. K. Ishida, J. Chem. Phys. 98, 2176 (1993).
2. P. M. W. Gill and J. A. Pople, Int. J. Quantum Chem. 40, 753 (1991).
3. M. Dupuis, J. Rys, and H. F. King, J. Chem. Phys. 65, 111 (1976).
4. K. Ishida, J. Chem. Phys. 95, 5198 (1991).
5. H. Taketa, S. Huzinaga, and K. O-ohata, J. Phys. Soc. Jpn. 21, 2313 (1966).
6. M. Head-Gordon and J. A. Pople, J. Chem. Phys. 89, 5777 (1988).
7. S. Ten-no, Chem. Phys. Lett. 211, 3963 (1993).
8. J. A. Pople and W. J. Hehre, J. Comput. Phys. 27, 161 (1978).
9. S. Obara and A. Saika, J. Chem. Phys. 84, 3963 (1986).
10. T. P. Hamilton and H. F. Schaefer III, Chem. Phys. 150, 163 (1991).
11. R. Lindh, U. Ryu, and B. Liu, J. Chem. Phys. 95, 5889 (1991).
12. L. E. McMurchie and E. R. Davidson, J. Comput. Phys. 26, 218 (1978).
13. V. R. Saunders, in Methods in Computational Physics, G. H. F. Diercksen and S. Wilson, Eds. (Reidel, Dordrecht, 1983), p. 1.
14. P. M. W. Gill, B. G. Johnson, and J. A. Pople, Int. J. Quantum Chem. 40, 745 (1991).
15. For example, I. Shavitt, in Methods in Computational Physics 2. Quantum Mechanics, B. Alder, S. Fernbach, and M. Rotenberg, Eds. (Academic Press, New York, 1963) p. 1; L. J. Schaad and G. O. Morrell, J. Chem. Phys. 54, 1965 (1971); L. Jakab, J. Chem. Phys. 70, 4421 (1979); J. Grotendorst and E. O. Steinborn, J. Chem. Phys. 84, 5617 (1986).
16. For example, I. Shavitt, in Methods in Computational Physics 2. Quantum Mechanics, B. Alder, S. Fernbach, and M. Rotenberg, Eds. (Academic Press, New York, 1963) p. 1; L. J. Schaad and G. O. Morrell, J. Chem. Phys. 54, 1965 (1971); L. Jakab, J. Chem. Phys. 70, 4421 (1979); J. Grotendorst and E. O. Steinborn, J. Chem. Phys. 84, 5617 (1986).
17. For example, I. Shavitt, in Methods in Computational Physics 2. Quantum Mechanics, B. Alder, S. Fernbach, and M. Rotenberg, Eds. (Academic Press, New York, 1963) p. 1; L. J. Schaad and G. O. Morrell, J. Chem. Phys. 54, 1965 (1971); L. Jakab, J. Chem. Phys. 70, 4421 (1979); J. Grotendorst and E. O. Steinborn, J. Chem. Phys. 84, 5617 (1986).
18. For example, I. Shavitt, in Methods in Computational Physics 2. Quantum Mechanics, B. Alder, S. Fernbach, and M. Rotenberg, Eds. (Academic Press, New York, 1963) p. 1; L. J. Schaad and G. O. Morrell, J. Chem. Phys. 54, 1965 (1971); L. Jakab, J. Chem. Phys. 70, 4421 (1979); J. Grotendorst and E. O. Steinborn, J. Chem. Phys. 84, 5617 (1986).