Fast assembly of the Coulomb matrix: A quantum chemical tree code

Journal of Chemical Physics

Volumn 104, Issue 12, 1996, Pages 4685-4698

  Challacombe, Matt ^a   Schwegler, Eric ^a   Almlöf, Jan ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001027297     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.471163     Document Type: Article

References (20)

1. C. Roothaan, Rev. Mod. Phys. 23, 69 (1951).
2. G. G. Hall, Proc. R. Soc. London Ser. A 205, 541 (1951).
3. J. A. Pople and R. K. Nesbet, J. Chem. Phys. 22, 571 (1954).
4. P. O. Löwdin, Phys. Rev. 97, 1490 (1955).
5. R. McWeeny, Rev. Mod. Phys. 126, 1028 (1962).
6. S. F. Boys, Proc. R. Soc. London, Ser. A 200, 542 (1950).
7. V. Dyczmons, Theoret. Chim. Acta 28, 307 (1973).
8. R. Ahlrichs, Theoret. Chim. Acta 33, 157 (1974).
9. G. Karlström, J. Comput. Chem. 2, 33 (1981).
10. J. Almlöf, K. Faegri, and K. Korsell, J. Comput. Chem. 3, 385 (1982).
11. D. Cremer and J. Gauss, J. Comput. Chem. 7, 274 (1986).
12. M. Häser and R. Ahlrichs, J. Comput. Chem. 10, 104 (1989).
13. S. Obara and A. Saika, J. Chem. Phys. 84, 3963 (1985).
14. M. Head-Gordon and J. A. Pople, J. Chem. Phys. 89, 5777 (1988).
15. P. M. W. Gill, M. Head-Gordon, and J. A. Pople, Int. J. Quantum Chem. Symp. 23, 269 (1989).
16. T. P. Hamilton and H. F. Schaefer, Chem. Phys. 150, 163 (1991).
17. T. P. Hamilton and H. F. Schaefer, Can. J. Chem. 70, 416 (1992).
18. P. M. W. Gill and J. A. Pople, Int. J. Quantum Chem. 40, 753 (1991).
19. I. Panas, Chem. Phys. Lett. 184, 86 (1991).
20. U. Ryu, Y. S. Lee, and R. Lindh, Chem. Phys. Lett. 185, 562 (1991).