Sixth-order many-body perturbation theory. IV. Improvement of the Møller-Plesset correlation energy series by using Padé, Feenberg, and other approximations up to sixth order

International Journal of Quantum Chemistry

Volumn 59, Issue 1, 1996, Pages 71-95

  He, Zhi ^a   Cremer, Dieter ^a  

^a UNIVERSITY OF GOTHENBURG   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002712005     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1996)59:1<71::AID-QUA6>3.0.CO;2-U     Document Type: Article

References (49)

1. J. Noga and R. J. Bartlett, J. Chem. Phys. 86, 7041 (1987).
2. (a) D. Cremer and Zhi He, Theor. Chim. Acta 88, 47 (1994).
3. (b) Zhi He and D. Cremer, Chem. Phys. Lett. 222, 40 (1994).
4. K. Raghavachari, G. W. Trucks, J. A. Pople, and E. Replogle, Chem. Phys. Lett. 158, 207 (1989).
5. (a) J. A. Pople, M. Head-Gordon, and K. Raghavachari, J. Chem. Phys. 87, 5968 (1987).
6. (b) J. A. Pople, M. Head-Gordon, and K. Raghavachari, J. Chem. Phys. 90, 4635 (1989).
7. C. Møller and M. S. Plesset, Phys. Rev. 46, 618 (1934).
8. R. J. Bartlett and D. M. Silver, Phys. Rev. A10, 1927 (1974); Chem. Phys. Lett. 29, 199 (1994); Int. J. Quantum Chem. S8, 271 (1974).
9. R. J. Bartlett and D. M. Silver, Phys. Rev. A10, 1927 (1974); Chem. Phys. Lett. 29, 199 (1994); Int. J. Quantum Chem. S8, 271 (1974).
10. R. J. Bartlett and D. M. Silver, Phys. Rev. A10, 1927 (1974); Chem. Phys. Lett. 29, 199 (1994); Int. J. Quantum Chem. S8, 271 (1974).
11. J. S. Binkley and J. A. Pople, Int. J. Quantum Chem. 9, 229 (1975).
12. J. A. Pople, J. S. Binkley, and R. Seeger, Int. J. Quantum Che. Symp. 10, 1 (1976).
13. R. J. Bartlett and G. D. Purvis, J. Chem. Phys. 68, 2114 (1978); R. J. Bartlett, H. Sekino, and G. D. Purvis, Chem. Phys. Lett. 98, 66 (1983).
14. R. J. Bartlett and G. D. Purvis, J. Chem. Phys. 68, 2114 (1978); R. J. Bartlett, H. Sekino, and G. D. Purvis, Chem. Phys. Lett. 98, 66 (1983).
15. R. Krishnan and J. A. Pople, Int. J. Quantum Chem. 14, 91 (1978); R. Krishnan, M. J. Frisch, and J. A. Pople, J. Chem. Phys. 72, 4244 (1980).
16. R. Krishnan and J. A. Pople, Int. J. Quantum Chem. 14, 91 (1978); R. Krishnan, M. J. Frisch, and J. A. Pople, J. Chem. Phys. 72, 4244 (1980).
17. S. A. Kucharski and R. J. Bartlett, Adv. Quantum Chem. 18, 281 (1986); S. A. Kucharski, J. Noga, and R. J. Bartlett, J. Chem. Phys. 90, 7282 (1989).
18. S. A. Kucharski and R. J. Bartlett, Adv. Quantum Chem. 18, 281 (1986); S. A. Kucharski, J. Noga, and R. J. Bartlett, J. Chem. Phys. 90, 7282 (1989).
19. K. Raghavachari, J. A. Pople, E. S. Replogle, and M. Head-Gordon, J. Phys. Chem. 94, 5579 (1990).
20. Zhi He and D. Cremer, Int. J. Quantum Chem. Symp. 25, 43 (1991).
21. Zhi He and D. Cremer, Int. J. Quantum Chem. 59, 15 (1996).
22. Zhi He and D. Cremer, Int. J. Quantum Chem. 59, 31 (1996).
23. Zhi He and D. Cremer, Int. J. Quantum Chem. 59, 57 (1996).
24. J. A. Pople, M. J. Frisch, B. T. Luke, and J. S. Binkley, Intern. J. Quantum Chem. Symp. 17, 307 (1983).
25. (a) N. C. Handy, P. J. Knowles, and K. Somasundram, Theor. Chim. Acta 68, 68 (1985).
26. (b) N. C. Handy, in Relativistic and Electron Correlation Effects in Molecules and Solids, G. L. Malli, Ed., Nato ASI Series Physics 318 (Plenum, New York, 1994, p. 133).
27. E. Kraka and D. Cremer, J. Mol. Struct. (THEOCHEM), 255, 189 (1992).
28. J. Gauss and D. Cremer, Adv. Quant. Chem. 23, 205 (1992).
29. W. D. Laidig, G. Fitzgerald, and R. J. Bartlett, Chem. Phys. Lett. 113, 151 (1985). See also P. M. W. Gill and L. Radom, Chem. Phys. Lett. 132, 16 (1986).
30. W. D. Laidig, G. Fitzgerald, and R. J. Bartlett, Chem. Phys. Lett. 113, 151 (1985). See also P. M. W. Gill and L. Radom, Chem. Phys. Lett. 132, 16 (1986).
31. G. A. Baker Jr., Advan. Theor. Phys. 1, 1 (1965).
32. For a discussion of Padé approximants, see, e.g., (a) E. Brindas and O. Goscinski, Phys. Rev. A 1, 52 (1970) and S. Wilson, D. M. Silver, and R. A. Farrell, Proc. R. Soc. London A 356, 363 (1977).
33. For a discussion of Padé approximants, see, e.g., (a) E. Brindas and O. Goscinski, Phys. Rev. A 1, 52 (1970) and S. Wilson, D. M. Silver, and R. A. Farrell, Proc. R. Soc. London A 356, 363 (1977).
34. R. J. Bartlett and I. Shavitt, Chem. Phys. Lett. 50, 190 (1977).
35. (a) E. Feenberg, Phys. Rev. 103, 116 (1956).
36. (b) P. Goldhammer and E. Feenberg, Phys. Rev. 101, 1233 (1956).
37. See, e.g., J. M. Schulman and J. I. Musher, J. Chem. Phys. 49, 4845 (1968); and K. Battacharyya, J. Phys. B 14, 783 (1981); and P. K. Mukherjee, T. Minato, and D. P. Chong, Int. J. Quantum Chem. 23, 447 (1983).
38. See, e.g., J. M. Schulman and J. I. Musher, J. Chem. Phys. 49, 4845 (1968); and K. Battacharyya, J. Phys. B 14, 783 (1981); and P. K. Mukherjee, T. Minato, and D. P. Chong, Int. J. Quantum Chem. 23, 447 (1983).
39. See, e.g., J. M. Schulman and J. I. Musher, J. Chem. Phys. 49, 4845 (1968); and K. Battacharyya, J. Phys. B 14, 783 (1981); and P. K. Mukherjee, T. Minato, and D. P. Chong, Int. J. Quantum Chem. 23, 447 (1983).
40. (a) K. Dietz, C. Schmidt, M. Warken, and B. A. Hess, Chem. Phys. Lett. 207, 201 (1993).
41. (b) K. Dietz, C Schmidt, M. Warken, and B. A. Hess, J. Phys. B: At. Mol. Opt. Phys. 26, 1885 (1993).
42. (c) K Dietz, C. Schmidt, M. Warken, and B. A. Hess, J. Phys B: At. Mol. Opt. Phys. 26, 1897 (1993).
43. C. Schmidt, M. Warken, and N. C. Handy, Chem. Phys. Lett. 211, 272 (1993).
44. J. Noga and R. J. Bartlett, J. Chem. Phys. 86, 7041 (1987); 89, 3401 (E) (1988).
45. J. Noga and R. J. Bartlett, J. Chem. Phys. 86, 7041 (1987); 89, 3401 (E) (1988).
46. J. D. Watts, J. Gauss, and R. J. Bartlett, J. Chem. Phys. 98, 8718 (1993).
47. J. D. Watts and R. J. Bartlett, J. Chem. Phys. 93, 6140 (1990).
48. C. W. Bauschlicher, Jr., and P. R. Taylor, J. Chem. Phys. 85, 6510 (1986).
49. C. W. Bauschlicher, Jr., and P. R. Taylor, J. Chem. Phys. 86, 5600 (1987).