An explicitly correlated second order møller-plesset theory using a frozen Gaussian geminal

Journal of Chemical Physics

Volumn 121, Issue 10, 2004, Pages 4479-4485

  May, Andrew J ^a   Manby, Frederick R ^a  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; DATA REDUCTION; ELECTRON ENERGY LEVELS; ELECTRONS; MATHEMATICAL OPERATORS; MATRIX ALGEBRA; TRANSFER FUNCTIONS;

GAUSSIAN GEMINAL; INTEGRALS; INTERELECTRONIC DISTANCE; MOLECULAR ORBITALS;

QUANTUM THEORY;

EID: 4544268839     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1780891     Document Type: Article

References (32)

1. E. A. Hylleraas, Z. Phys. 54, 347 (1929).
2. W. Kutzelnigg, Theor. Chim. Acta 68, 445 (1985).
3. W. Klopper and W. Kutzelnigg, Chem. Phys. Lett. 134, 17 (1987).
4. W. Kutzelnigg and W. Klopper, J. Chem. Phys. 94, 1985 (1991).
5. B. J. Persson and P. R. Taylor, J. Chem. Phys. 105, 5915 (1996).
6. S. Ten-no, Chem. Phys. Lett. 330, 169 (2000).
7. S. Ten-no and F. R. Manby, J. Chem. Phys. 119, 5358 (2003).
8. C. C. M. Samson, W. Klopper, and T. Helgaker, Comp. Phys. Commun. 149, 1 (2002).
9. W. Klopper and C. C. M. Samson, J. Chem. Phys. 116, 6397 (2002).
10. P. Wind, W. Klopper, and T. Helgaker, Theor. Chem. Acc. 107, 173 (2002).
11. E. A. Hylleraas, Z. Phys. 65, 209 (1930).
12. O. Sinanoǧlu, J. Chem. Phys. 36, 706 (1962).
13. F. R. Manby, J. Chem. Phys. 119, 4607 (2003).
14. B. I. Dunlap, Int. J. Quantum Chem. 64, 193 (1997).
15. B. I. Dunlap, Phys. Chem. Chem. Phys. 2, 2113 (2000).
16. S. Obara and A. Saika, J. Chem. Phys. 84, 3963 (1986).
17. S. F. Boys, Proc. R. Soc. London, Ser. A 200, 542 (1950).
18. W. Klopper and R. Röhse, Theor. Chim. Acta 83, 441 (1992).
19. T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
20. D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).
21. F. Weigend, A. Köhn, and C. Hättig, J. Chem. Phys. 116, 3175 (2002).
22. W. Klopper, Mol. Phys. 99, 481 (2001).
23. M. Head-Gordon and J. A. Pople, J. Chem. Phys. 89, 5777 (1988).
24. S. F. Boys, Proc. R. Soc. London, Ser. A 258, 402 (1960).
25. K. Singer, Proc. R. Soc. London, Sci. A 258, 412 (1960).
26. B. J. Persson and P. R. Taylor, Theor. Chem. Acc. 97, 240 (1997).
27. K. Szalewicz, B. Jeziorski, H. J. Monkhorst, and J. G. Zabolitzky, Chem. Phys. Lett. 91, 169 (1982).
28. K. Szalewicz, B. Jeziorski, H. J. Monkhorst, and J. G. Zabolitsky, J. Chem. Phys. 78, 1420 (1983).
29. A. K. Wilson, T. van Mourik, and T. H. Dunning, Jr., J. Mol. Struct.: THEOCHEM 388, 339 (1996).
30. K. L. Bak, P. Jørgensen, J. Olsen, T. Helgaker, and W. Klopper, J. Chem. Phys. 112, 9229 (2000).
31. A. Halkier, T. Helgaker, P. Jørgensen, W. Klopper, H. Koch, J. Olsen, and A. K. Wilson, Chem. Phys. Lett. 286, 243 (1998).
32. W. Klopper, Chem. Phys. Lett. 186, 583 (1991).