Density fitting for the decomposition of three-electron integrals in explicitly correlated electronic structure theory

Journal of Chemical Physics

Volumn 119, Issue 11, 2003, Pages 5358-5363

  Ten No, Seiichiro ^a   Manby, Frederick R ^b  

^a NAGOYA UNIVERSITY   (Japan)

^b UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

DECOMPOSITION; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; HAMILTONIANS; STATISTICAL METHODS;

DENSITY FITTING (DF);

MOLECULAR DYNAMICS;

EID: 0141956332     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1600431     Document Type: Article

References (28)

1. T. Kato, Commun. Pure Appl. Math. 10, 151 (1957).
2. E. A. Hyleraas, Z. Phys. 54, 347 (1929).
3. K. Szalewicz, B. Heziorski, H. J. Monkhorst, and J. G. Zabolitzky, J. Chem. Phys. 78, 1420 (1983).
4. S. F. Boys and N. C. Handy, Proc. R. Soc. London, Ser. A 310, 43 (1969).
5. N. C. Handy, Mol. Phys. 26, 169 (1973).
6. S. Ten-no, Chem. Phys. Lett. 330, 169 (2000); ibid. 330, 175 (2000).
7. S. Ten-no, Chem. Phys. Lett. 330, 169 (2000); ibid. 330, 175 (2000).
8. O. Hino, Y. Tanimura, and S. Ten-no, J. Chem. Phys. 115, 7865 (2001); O. Hino, Y. Tanimura, and S. Ten-no, Chem. Phys. Lett. 353, 317 (2002).
9. O. Hino, Y. Tanimura, and S. Ten-no, J. Chem. Phys. 115, 7865 (2001); O. Hino, Y. Tanimura, and S. Ten-no, Chem. Phys. Lett. 353, 317 (2002).
10. W. Kutzelnigg and W. Klopper, J. Chem. Phys. 94, 1985 (1991).
11. K. C. Pan and H. F. King, J. Chem. Phys. 56, 4667 (1972).
12. S. F. Boys, Proc. R. Soc. London, Ser. A 258, 402 (1960).
13. P. Wind, T. Helgaker, and W. Klopper, Theor. Chem. Acc. 106, 280 (2001).
14. W. Klopper and C. C. M. Samson, J. Chem. Phys. 116, 6397 (2002).
15. S. F. Boys and I. Shavitt, University of Wisconsin, Rep WIS-AF-13 (1959).
16. E. J. Baerends, R. H. Felton, and P. Roos, Chem. Phys. 2, 41 (1973); B. I. Dunlap, J. W. D. Connoly, and J. R. Sabin, J. Chem. Phys. 71, 3396 (1979).
17. E. J. Baerends, R. H. Felton, and P. Roos, Chem. Phys. 2, 41 (1973); B. I. Dunlap, J. W. D. Connoly, and J. R. Sabin, J. Chem. Phys. 71, 3396 (1979).
18. M. Feyereisen, G. Fitzgerald, and A. Komornicki, Chem. Phys. Lett. 208, 359 (1993).
19. R. A. Kendall and H. A. Fruchtl, Theor. Chem. Ace. 97, 158 (1997), and references therein.
20. F. R. Manby, J. Chem. Phys. (in press).
21. B. J. Persson and P. R. Taylor, J. Chem. Phys. 105, 5915 (1996).
22. W. Klopper, Chem. Phys. Lett. 186, 583 (1991).
23. R. T. Pack and W. Byers-Brown, J. Chem. Phys. 45, 556 (1966); W. Kutzelnigg and J. D. Morgan III, ibid. 96, 4484 (1992).
24. R. T. Pack and W. Byers-Brown, J. Chem. Phys. 45, 556 (1966); W. Kutzelnigg and J. D. Morgan III, ibid. 96, 4484 (1992).
25. T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1988).
26. D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 103, 4572 (1995).
27. R. Pou-Amerigo, M. Merchan, I. Nebot-Gil, P. O. Widmark, and B. Roos, Theor. Chim. Acta 92, 149 (1995).
28. V. Termath, W. Klopper, and W. Kutzelnigg, J. Chem. Phys. 94, 2002 (1991).