Diagrammatic complete active space perturbation theory: Calculations on benzene, N2, and LiF

Journal of Chemical Physics

Volumn 112, Issue 9, 2000, Pages 3958-3963

  Finley, James P ^a,b   Witek, Henryk A ^b  

^a CHEMICAL CENTER   (Sweden)

^b UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001666057     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480947     Document Type: Article

References (41)

1. M. G. Sheppard and K. F. Freed, J. Chem. Phys. 75, 4507 (1981).
2. C. H. Martin, R. L. Graham, and K. F. Freed, J. Chem. Phys. 99, 7833 (1993).
3. J. Stevens, R. L. Graham, and K. F. Freed, J. Chem. Phys. 101, 4832 (1994).
4. J. P. Finley and K. F. Freed, J. Chem. Phys. 102, 1306 (1995).
5. K. Hirao, Chem. Phys. Lett. 190, 374 (1992).
6. K. Hirao, Chem. Phys. Lett. 196, 397 (1992).
7. K. Hirao, Int. J. Quantum Chem. S26, 517 (1992).
8. K. Hirao, Chem. Phys. Lett. 201, 59 (1993).
9. K. Andersson, P. Å. Malmqvist, B. O. Roos, A. J. Sadlej, and K. Wolinski, J. Phys. Chem. 94, 5483 (1990).
10. K. Andersson, P. A. Malmqvist, and B. O. Roos, J. Phys. Chem. 96, 1218 (1992).
11. B. O. Roos et al., in Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, edited by S. R. Langhoff (Kluwer Academic, The Netherlands, 1995).
12. B. O. Roos et al., Advances in Chemical Physics: New methods in Computational Quantum Mechanics, edited by I. Prigogine and S. Rice (Wiley, New York, 1996), Vol. XCIII:219.
13. B. H. Brandow, Rev. Mod. Phys. 39, 771 (1967).
14. B. H. Brandow, Adv. Quantum Chem. 10, 187 (1977).
15. I. Lindgren, J. Phys. B 7, 2441 (1974).
16. I. Lindgren and J. Morrison, Atomic Many-Body Theory, 2nd ed. (Springer-Verlag, New York, Berlin, Heidelberg, 1986).
17. J. P. Finley, J. Chem. Phys. 108, 1081 (1998).
18. J. P. Finley, Chem. Phys. Lett. 109, 7725 (1998).
19. C. Bloch, Nucl. Phys. 6, 329 (1958).
20. A. Szabo and N. S. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory, 1st ed. (Macmillian, New York, 1982).
21. B. O. Roos, P. Linse, and P. E. M. Siegbahm, Chem. Phys. 66, 197 (1981).
22. J. P. Finley, P. Å. Malmqvist, B. O. Roos, and L. Serrano-Andrés, Chem. Phys. Lett. 288, 299 (1998).
23. H. Nakano, J. Chem. Phys. 99, 7983 (1993).
24. J. P. Finley and K. F. Freed, J. Chem. Phys. 102, 1306 (1995).
25. J. P. Finley, R. K. Chaudhuri, and K. F. Freed, Phys. Rev. A 54, 343 (1996).
26. T. H. Dunning, J. Chem. Phys. 53, 2823 (1970).
27. C. W. Bauschlicher, Jr. and R. Langhoff, J. Chem. Phys. 86, 5595 (1987).
28. R. Krishnan, J. S. Binkley, R. Seeger, and J. A. Pople, J. Chem. Phys. 72, 650 (1980).
29. J. Oddershede, N. E. Grüner, and G. H. F. Diercksen, Chem. Phys. 97, 303 (1985).
30. S. Berkovic, B. Shlomo, and U. Kaldor, J. Chem. Phys. 92, 3680 (1990).
31. K. Andersson, Chem. Phys. Lett. 237, 212 (1995).
32. B. O. Roos and K. Andersson, Chem. Phys. Lett. 245, 215 (1995).
33. B. O. Roos, K. Andersson, and M. P. Fülscher, Chem. Phys. Lett. 5, 192 (1992).
34. P. O. Widmark, P. Å. Malmqvist, and B. O. Roos, Theor. Chim. Acta 77, 291 (1990).
35. A. Hiraya and K. Shobatake, J. Chem. Phys. 94, 7700 (1991).
36. N. Nakashima, H. Inoue, M. Sumitani, and K. Yoshihara, J. Chem. Phys. 73, 5976 (1980).
37. J. P. Doering, J. Chem. Phys. 51, 2866 (1969).
38. R. Astier and Y. H. Meyer, Chem. Phys. Lett. 3, 399 (1969).
39. F. Spiegelmann and J.-P. Malrieu, J. Phys. B 17, 1235 (1984).
40. F. Spiegelmann and J.-P. Malrieu, J. Phys. B 17, 1259 (1984).
41. C. W. Bauschlicher, Jr. and R. Langhoff, J. Chem. Phys. 89, 4246 (1988).