Advertisement

Electron correlation and electron pair theories

  • Werner Kutzelnigg
Chapter
Part of the Topics in Current Chemistry Fortschritte der Chemischen Forschung book series (TOPCURRCHEM, volume 41)

Keywords

Wave Function Electron Correlation Correlation Energy Spin Orbital Slater Determinant 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1).
    Wigner, E. P., Seitz, F.: Phys. Rev. 43, 804 (1933); 46, 509 (1934).CrossRefGoogle Scholar
  2. 2).
    Löwdin, P. O.: Advan. Chem. Phys. 2, 207, (1959).CrossRefGoogle Scholar
  3. 3).
    Nesbet, R. K., Barr, T. L., Davidson, E. R.: Chem. Phys. Letters 4, 203 (1969).CrossRefGoogle Scholar
  4. 4).
    Veillard, A.: Chem. Phys. Letters 3, 128, 565 (1969).CrossRefGoogle Scholar
  5. 5).
    Diercksen, G. H. F.: Theoret. Chim. Acta 21, 335 (1971).CrossRefGoogle Scholar
  6. 6).
    Clementi, E.: J. Chem. Phys. 46, 3851 (1967).CrossRefGoogle Scholar
  7. 7).
    Gelus, M., Ahlrichs, R., Staemmler, V., Kutzelnigg, W.: Chem. Phys. Letters 7, 503 (1970).CrossRefGoogle Scholar
  8. 8).
    Møller, C., Plesset, M. S.: Phys. Rev. 46, 618 (1934).CrossRefGoogle Scholar
  9. 9).
    Grimaldi, F., Lecourt, A., Moser, C.: Intern. J. Quantum Chem. 1S, 153 (1970). Stevens, R. M., Karplus, M.: J. Chem. Phys. 49, 1094 (1968).Google Scholar
  10. 9a).
    v. Herigonte, P.: Struct. Bonding, 12, 1 (1972)Google Scholar
  11. 10).
    Ruedenberg, K.: Rev. Mod. Phys. 34, 326 (1962).CrossRefGoogle Scholar
  12. 11).
    McWeeny, R.: Proc. Roy. Soc. (London) A 253, 242 (1959); Rev. Mod. Phys. 32, 335 (1960).Google Scholar
  13. 12).
    Kutzelnigg, W.: Z. Naturforsch. 18a, 1058 (1963); 168 (1965).Google Scholar
  14. 13).
    McWeeny, R., Kutzelnigg, W.: Intern. J. Quantum Chem. 2, 187 (1968).CrossRefGoogle Scholar
  15. 14).
    Kutzelnigg, W., Del Re, G., Berthier, G.: Phys. Rev. 172, 49 (1968).CrossRefGoogle Scholar
  16. 15).
    Kato, T.: Commun. Pure Appl. Math. 10, 151 (1957).CrossRefGoogle Scholar
  17. 16).
    Bingel, W. A.: Theoret. Chim. Acta 5, 341 (1966).CrossRefGoogle Scholar
  18. 17).
    Hurley, A. C., Lennard-Jones, J., Pople, J. A.: Proc. Roy. Soc. (London) A 220, 446 (1953).Google Scholar
  19. 18).
    Löwdin, P. O., Shull, H.: Phys. Rev. 101, 1730 (1956).CrossRefGoogle Scholar
  20. 19).
    Schwartz, C.: Phys. Rev. 126, 1015 (1962).CrossRefGoogle Scholar
  21. 20).
    Lakin, W.: J. Chem. Phys. 43, 2954 (1965).CrossRefGoogle Scholar
  22. 21).
    Ahlrichs, R., Kutzelnigg, W., Bingel, W. A.: Theoret. Chim. Acta 5, 289 (1966).CrossRefGoogle Scholar
  23. 22).
    Kutzelnigg, W.: Theoret. Chim. Acta 1, 327 (1963).CrossRefGoogle Scholar
  24. 23).
    Bopp, F.: Z. Phys. 156, 348 (1959).CrossRefGoogle Scholar
  25. 24).
    Yang, C. N.: Rev. Mod. Phys. 34, 694 (1962).CrossRefGoogle Scholar
  26. 25).
    Sasaki, F.: Phys. Rev. 138 B, 1338 (1965).CrossRefGoogle Scholar
  27. 26).
    Coleman, A. J.: Rev. Mod. Phys. 35, 668 (1963).CrossRefGoogle Scholar
  28. 27).
    Watanabe, S.: Z. Phys. 113, 482 (1930).Google Scholar
  29. 28).
    Mayer, J. E.: Phys. Rev. 100, 1579 (1955).CrossRefGoogle Scholar
  30. 29).
    Garrod, C., Percus, J. K.: J. Math. Phys. 5, 1756 (1964).CrossRefGoogle Scholar
  31. 30).
    Davidson, E. R.: J. Math. Phys. 10, 725 (1969) — McRae, W. B., Davidson, E. R.: J. Math. Phys. 13, 1527 (1972).CrossRefGoogle Scholar
  32. 31).
    Peat, F. D., Brown, R. J. C.: Can. J. Phys. 44, 1344 (1969). — Peat, F. D.: Can. J. Phys. 45, 847 (1967); Phys. Rev. 173, 67 (1968). — Bender, C. F., Davidson, E. R., Peat, F. D.: Phys. Rev. 174, 75 (1968).Google Scholar
  33. 32).
    Garrod, C., Rosina, M.: J. Math. Phys. 10, 1855 (1969).CrossRefGoogle Scholar
  34. 33).
    Kutzelnigg, W.: Paper given at the workshop on density matrices in Kington/Ontario, Sept. 1970.Google Scholar
  35. 34).
    Nesbet, R. K.: Phys. Rev. 109, 1632 (1958); Advan. Chem. Phys. 9, 321 (1965).CrossRefGoogle Scholar
  36. 35).
    Kutzelnigg, W., Smith, V. H., Jr.: Chem. Phys. 41, 896 (1964).CrossRefGoogle Scholar
  37. 36).
    Primas, H.: In: Modern quantum chemistry. (O. Sinanoglu, ed.). New York: Academic Press 1965.Google Scholar
  38. 37).
    Brenig, W.: Nucl. Phys. 4, 363 (1957).CrossRefGoogle Scholar
  39. 38).
    Coester, F.: Nucl. Phys. 7, 421 (1958). — Coester, F., Kümmel, H.: Nucl. Phys. 17, 477 (1960). — Kümmel, H.: Nucl. Phys. 22, 177 (1961).CrossRefGoogle Scholar
  40. 39).
    Brout, R.: Phys. Rev. 111, 1324 (1958).CrossRefGoogle Scholar
  41. 40).
    Sinanoglu, O.: J. Chem. Phys. 35, 706, 3198 (1962).CrossRefGoogle Scholar
  42. 41).
    Kutzelnigg, W.: J. Chem. Phys. 40, 3640 (1964).CrossRefGoogle Scholar
  43. 42).
    Miller, K. J., Ruedenberg, K.: J. Chem. Phys. 48, 3418 (1968).Google Scholar
  44. 43).
    Mehler, E. L., Ruedenberg, K., Silver, D. M.: J. Chem. Phys. 52, 1181 (1970).CrossRefGoogle Scholar
  45. 44).
    Ahlrichs, R., Kutzelnigg, W.: J. Chem. Phys. 48, 1819 (1968).CrossRefGoogle Scholar
  46. 45).
    Ahlrichs, R., Kutzelnigg, W.: Chem. Phys. Letters, 1, 651 (1968).CrossRefGoogle Scholar
  47. 46).
    Jungen, M., Ahlrichs, R.: Theoret. Chim. Acta 17, 339 (1970).CrossRefGoogle Scholar
  48. 47).
    Davidson, E. R., Bender, C. F.: J. Chem. Phys. 49, 465 (1968). — Bender, C. F., Davidson, E. R.: Chem. Phys. Letters 3, 33 (1969).CrossRefGoogle Scholar
  49. 48).
    Barr, T. L., Davidson, E. R.: Phys. Rev. A 1, 644 (1970).Google Scholar
  50. 49).
    Viers, J. W., Harris, F. E., Schaefer III, H. F.: Phys. Rev. A 1, 24 (1970).Google Scholar
  51. 49a).
    Meyer, W.: J. Chem. Phys. 58, 1017 (1973).CrossRefGoogle Scholar
  52. 50).
    Nesbet, R. K.: Phys. Rev. 155, 51, 56 (1967); 175, 2 (1968).CrossRefGoogle Scholar
  53. 51).
    Kutzelnigg, W.: to be published.Google Scholar
  54. 52).
    Nakamura, K.: Progr. Theoret. Phys. 21, 713 (1959). — Blatt, J. M.: Progr. Theoret. Phys. 23, 447 (1960).CrossRefGoogle Scholar
  55. 53).
    Coleman, A. J.: J. Math. Phys. 6, 1425 (1965).CrossRefGoogle Scholar
  56. 54).
    Bratoz, S., Durand, P.: J. Chem. Phys. 43, 2670 (1965). — Bessis, G., Espagnet, P., Bratoz, S.: Intern. J. Quantum Chem. 3, 205 (1969).CrossRefGoogle Scholar
  57. 55).
    Sinanoglu, O.: Proc. Roy. Soc. (London) A 260, 379 (1961); Phys. Rev. 122, 493 (1961). — McWeeny, R., Steiner, E.: Advan. Quantum. Chem. 2, 93 (1965).Google Scholar
  58. 56).
    Diner, S., Malrieu, J. P., Clavery, P.: Theoret. Chim. Acta 13, 118 (1969). — Diner, S., Malrieu, J. P., Jordan, M., Gilbert, M.: Theoret. Chim. Acta 15, 100 (1969). — Jordan, F., Gilbert, M., Malrieu, J. P., Pincelli, U.: Theoret. Chim. Acta 15, 211 (1969).CrossRefGoogle Scholar
  59. 57).
    Kelly, H. P., Sessler, A. M.: Phys. Rev. 132, 2091 (1963). — Kelly, H. P.: Phys. Rev. 134, A 1450 (1964). — Kelly, H. P.: Adv. Chem. Phys. 14, 129 (1969).CrossRefGoogle Scholar
  60. 58).
    Freed, K. F.: Phys. Rev. 173, 1, 24 (1968).CrossRefGoogle Scholar
  61. 59).
    Bender, C. F., Davidson, E. R.: Phys. Rev. 183, 23 (1969).CrossRefGoogle Scholar
  62. 60).
    Wahl, A. C.: Advan. Quantum Chem. 4, 261 (1971) and references given therein.Google Scholar
  63. 61).
    Meyer, W.: Intern. J. Quantum Chem. 1972, 59.Google Scholar
  64. 62).
    This has been done to a large extent in a recent review paper. Kutzelnigg, W.: Molecular calculations including electron correlation. In: E. Clementi, ed., Selected topics in molecular physics”, proceedings of a symposium held in Ludwigsburg, Germany, October 1970. Weinheim: Verlag Chemie 1972.Google Scholar
  65. 63).
    See e.g. Gelus, M., Ahlrichs, R., Staemmler, V., Kutzelnigg, W.: Theoret. Chim. Acta 21, 63 (1971).CrossRefGoogle Scholar
  66. 64).
    Boys, S. F.: Rev. Mod. Phys. 32, 300 (l960). — Edmiston, C., Ruedenberg, K.: Rev. Mod. Phys. 34, 457 (l963). — England, W., Salmon, L. S., Ruedenberg, K.: Topics Curr. Chem. (Fortschr. Chem. Forsch.) 23, 31 (l971).CrossRefGoogle Scholar
  67. 65).
    Rothenberg, S.: J. Am. Chem. Soc. 93, 68 (1971).CrossRefGoogle Scholar
  68. 66).
    Kutzelnigg, W., Gelus, M.: Chem. Phys. Letters 7, 296 (1970). — Kutzelnigg, W., Staemmler, V., Gelus, M.: Chem. Phys. Letters 13, 496 (l972).CrossRefGoogle Scholar
  69. 67).
    Ĉižek, J.: J. Chem. Phys. 45, 4256 (l969). — Ĉižek, J.: Adv. Chem. Phys. 14, 35 (l969). — Paldus, J., Ĉižek, J., Shavitt, I.: Phys. Rev. A 5, 50 (l972).Google Scholar
  70. 68).
    Ahlrichs, R., private communication.Google Scholar
  71. 69).
    Hall, J. H., Marynick, D. S., Lipscomb, W. N.: Inorg. Chem. 11, 3126 (l972).CrossRefGoogle Scholar
  72. 70).
    70)Žurawski, B., Ahlrichs, R., Kutzelnigg, W.: Chem. Phys. Letters, in press.Google Scholar

Copyright information

© Springer Verlag 1973

Authors and Affiliations

  • Werner Kutzelnigg
    • 1
  1. 1.Institut für Physikalische Chemie und Elektrochemie der Universität Karlsruhe, Abteilung Theoret. ChemieKarlsruhe

Personalised recommendations