Skip to main content
SpringerLink
Log in

Electron correlation and electron pair theories

  • Chapter
  • First Online:
Book cover New Concepts I

Part of the book series: Topics in Current Chemistry Fortschritte der Chemischen Forschung ((TOPCURRCHEM,volume 41))

Slightly expanded version of a lecture given at the summer school on Computational Quantum Chemistry, Sept. 1971 in Ramsau/Berchtesgaden, Germany. The author is grateful to the organizers, particularly to Dr. G. H. F. Diercksen for the opportunity to give this lecture.

Present address: Lehrstuhl für Theoret. Chemie der Ruhruniversität, Bochum.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Log in via an institution

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. Wigner, E. P., Seitz, F.: Phys. Rev. 43, 804 (1933); 46, 509 (1934).

    Article  CAS  Google Scholar 

  2. Löwdin, P. O.: Advan. Chem. Phys. 2, 207, (1959).

    Article  Google Scholar 

  3. Nesbet, R. K., Barr, T. L., Davidson, E. R.: Chem. Phys. Letters 4, 203 (1969).

    Article  CAS  Google Scholar 

  4. Veillard, A.: Chem. Phys. Letters 3, 128, 565 (1969).

    Article  CAS  Google Scholar 

  5. Diercksen, G. H. F.: Theoret. Chim. Acta 21, 335 (1971).

    Article  CAS  Google Scholar 

  6. Clementi, E.: J. Chem. Phys. 46, 3851 (1967).

    Article  CAS  Google Scholar 

  7. Gelus, M., Ahlrichs, R., Staemmler, V., Kutzelnigg, W.: Chem. Phys. Letters 7, 503 (1970).

    Article  CAS  Google Scholar 

  8. Møller, C., Plesset, M. S.: Phys. Rev. 46, 618 (1934).

    Article  Google Scholar 

  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. v. Herigonte, P.: Struct. Bonding, 12, 1 (1972)

    Google Scholar 

  11. Ruedenberg, K.: Rev. Mod. Phys. 34, 326 (1962).

    Article  CAS  Google Scholar 

  12. McWeeny, R.: Proc. Roy. Soc. (London) A 253, 242 (1959); Rev. Mod. Phys. 32, 335 (1960).

    Google Scholar 

  13. Kutzelnigg, W.: Z. Naturforsch. 18a, 1058 (1963); 168 (1965).

    CAS  Google Scholar 

  14. McWeeny, R., Kutzelnigg, W.: Intern. J. Quantum Chem. 2, 187 (1968).

    Article  Google Scholar 

  15. Kutzelnigg, W., Del Re, G., Berthier, G.: Phys. Rev. 172, 49 (1968).

    Article  Google Scholar 

  16. Kato, T.: Commun. Pure Appl. Math. 10, 151 (1957).

    Article  Google Scholar 

  17. Bingel, W. A.: Theoret. Chim. Acta 5, 341 (1966).

    Article  CAS  Google Scholar 

  18. Hurley, A. C., Lennard-Jones, J., Pople, J. A.: Proc. Roy. Soc. (London) A 220, 446 (1953).

    Google Scholar 

  19. Löwdin, P. O., Shull, H.: Phys. Rev. 101, 1730 (1956).

    Article  Google Scholar 

  20. Schwartz, C.: Phys. Rev. 126, 1015 (1962).

    Article  CAS  Google Scholar 

  21. Lakin, W.: J. Chem. Phys. 43, 2954 (1965).

    Article  CAS  Google Scholar 

  22. Ahlrichs, R., Kutzelnigg, W., Bingel, W. A.: Theoret. Chim. Acta 5, 289 (1966).

    Article  CAS  Google Scholar 

  23. Kutzelnigg, W.: Theoret. Chim. Acta 1, 327 (1963).

    Article  CAS  Google Scholar 

  24. Bopp, F.: Z. Phys. 156, 348 (1959).

    Article  Google Scholar 

  25. Yang, C. N.: Rev. Mod. Phys. 34, 694 (1962).

    Article  CAS  Google Scholar 

  26. Sasaki, F.: Phys. Rev. 138 B, 1338 (1965).

    Article  Google Scholar 

  27. Coleman, A. J.: Rev. Mod. Phys. 35, 668 (1963).

    Article  Google Scholar 

  28. Watanabe, S.: Z. Phys. 113, 482 (1930).

    Google Scholar 

  29. Mayer, J. E.: Phys. Rev. 100, 1579 (1955).

    Article  CAS  Google Scholar 

  30. Garrod, C., Percus, J. K.: J. Math. Phys. 5, 1756 (1964).

    Article  CAS  Google Scholar 

  31. Davidson, E. R.: J. Math. Phys. 10, 725 (1969) — McRae, W. B., Davidson, E. R.: J. Math. Phys. 13, 1527 (1972).

    Article  Google Scholar 

  32. 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. Garrod, C., Rosina, M.: J. Math. Phys. 10, 1855 (1969).

    Article  Google Scholar 

  34. Kutzelnigg, W.: Paper given at the workshop on density matrices in Kington/Ontario, Sept. 1970.

    Google Scholar 

  35. Nesbet, R. K.: Phys. Rev. 109, 1632 (1958); Advan. Chem. Phys. 9, 321 (1965).

    Article  CAS  Google Scholar 

  36. Kutzelnigg, W., Smith, V. H., Jr.: Chem. Phys. 41, 896 (1964).

    Article  CAS  Google Scholar 

  37. Primas, H.: In: Modern quantum chemistry. (O. Sinanoglu, ed.). New York: Academic Press 1965.

    Google Scholar 

  38. Brenig, W.: Nucl. Phys. 4, 363 (1957).

    Article  Google Scholar 

  39. Coester, F.: Nucl. Phys. 7, 421 (1958). — Coester, F., Kümmel, H.: Nucl. Phys. 17, 477 (1960). — Kümmel, H.: Nucl. Phys. 22, 177 (1961).

    Article  Google Scholar 

  40. Brout, R.: Phys. Rev. 111, 1324 (1958).

    Article  Google Scholar 

  41. Sinanoglu, O.: J. Chem. Phys. 35, 706, 3198 (1962).

    Article  Google Scholar 

  42. Kutzelnigg, W.: J. Chem. Phys. 40, 3640 (1964).

    Article  CAS  Google Scholar 

  43. Miller, K. J., Ruedenberg, K.: J. Chem. Phys. 48, 3418 (1968).

    Google Scholar 

  44. Mehler, E. L., Ruedenberg, K., Silver, D. M.: J. Chem. Phys. 52, 1181 (1970).

    Article  CAS  Google Scholar 

  45. Ahlrichs, R., Kutzelnigg, W.: J. Chem. Phys. 48, 1819 (1968).

    Article  CAS  Google Scholar 

  46. Ahlrichs, R., Kutzelnigg, W.: Chem. Phys. Letters, 1, 651 (1968).

    Article  CAS  Google Scholar 

  47. Jungen, M., Ahlrichs, R.: Theoret. Chim. Acta 17, 339 (1970).

    Article  CAS  Google Scholar 

  48. Davidson, E. R., Bender, C. F.: J. Chem. Phys. 49, 465 (1968). — Bender, C. F., Davidson, E. R.: Chem. Phys. Letters 3, 33 (1969).

    Article  CAS  Google Scholar 

  49. Barr, T. L., Davidson, E. R.: Phys. Rev. A 1, 644 (1970).

    Google Scholar 

  50. Viers, J. W., Harris, F. E., Schaefer III, H. F.: Phys. Rev. A 1, 24 (1970).

    Google Scholar 

  51. Meyer, W.: J. Chem. Phys. 58, 1017 (1973).

    Article  CAS  Google Scholar 

  52. Nesbet, R. K.: Phys. Rev. 155, 51, 56 (1967); 175, 2 (1968).

    Article  CAS  Google Scholar 

  53. Kutzelnigg, W.: to be published.

    Google Scholar 

  54. Nakamura, K.: Progr. Theoret. Phys. 21, 713 (1959). — Blatt, J. M.: Progr. Theoret. Phys. 23, 447 (1960).

    Article  Google Scholar 

  55. Coleman, A. J.: J. Math. Phys. 6, 1425 (1965).

    Article  Google Scholar 

  56. Bratoz, S., Durand, P.: J. Chem. Phys. 43, 2670 (1965). — Bessis, G., Espagnet, P., Bratoz, S.: Intern. J. Quantum Chem. 3, 205 (1969).

    Article  CAS  Google Scholar 

  57. 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. 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).

    Article  Google Scholar 

  59. 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).

    Article  CAS  Google Scholar 

  60. Freed, K. F.: Phys. Rev. 173, 1, 24 (1968).

    Article  CAS  Google Scholar 

  61. Bender, C. F., Davidson, E. R.: Phys. Rev. 183, 23 (1969).

    Article  CAS  Google Scholar 

  62. Wahl, A. C.: Advan. Quantum Chem. 4, 261 (1971) and references given therein.

    Google Scholar 

  63. Meyer, W.: Intern. J. Quantum Chem. 1972, 59.

    Google Scholar 

  64. 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. See e.g. Gelus, M., Ahlrichs, R., Staemmler, V., Kutzelnigg, W.: Theoret. Chim. Acta 21, 63 (1971).

    Article  CAS  Google Scholar 

  66. 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).

    Article  Google Scholar 

  67. Rothenberg, S.: J. Am. Chem. Soc. 93, 68 (1971).

    Article  CAS  Google Scholar 

  68. Kutzelnigg, W., Gelus, M.: Chem. Phys. Letters 7, 296 (1970). — Kutzelnigg, W., Staemmler, V., Gelus, M.: Chem. Phys. Letters 13, 496 (l972).

    Article  CAS  Google Scholar 

  69. 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. Ahlrichs, R., private communication.

    Google Scholar 

  71. Hall, J. H., Marynick, D. S., Lipscomb, W. N.: Inorg. Chem. 11, 3126 (l972).

    Article  Google Scholar 

  72. 70)Žurawski, B., Ahlrichs, R., Kutzelnigg, W.: Chem. Phys. Letters, in press.

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Institut für Physikalische Chemie und Elektrochemie der Universität Karlsruhe, Abteilung Theoret. Chemie, Karlsruhe

    Prof. Dr. Werner Kutzelnigg

Authors
  1. Prof. Dr. Werner Kutzelnigg
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

Copyright information

© 1973 Springer Verlag

About this chapter

Cite this chapter

Kutzelnigg, W. (1973). Electron correlation and electron pair theories. In: New Concepts I. Topics in Current Chemistry Fortschritte der Chemischen Forschung, vol 41. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-06333-1_18

Download citation

  • DOI: https://doi.org/10.1007/3-540-06333-1_18

  • Received:

  • Published:

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-06333-9

  • Online ISBN: 978-3-540-46940-7

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics

Search

Navigation