Skip to main content
Log in

Hartree-Fock perturbation theory for systems with one-particle perturbation

  • Published:
Czechoslovak Journal of Physics B Aims and scope

Abstract

The Hartree-Fock perturbation theory for theN-electron system with a one-particle perturbation is rederived using the resolvent operator formalism. It is shown that the second-order contribution to the total energy can be expressed in a compact form using a properly defined effective one-particle operator. Relations of the Hartree-Fock perturbation theory with both the many-body theory and the regular Hartree-Fock formalism are discussed.

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

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Similar content being viewed by others

References

  1. Stevens R. M., Pitzer R. M., Lipscomb W. M., J. Chem. Phys.38 (1963), 550.

    Google Scholar 

  2. Lefebvre E., Moser C., Calcul des functions d'onde moleculaire, Centre nationale de la recherche scientifique, Paris 1958, p. 109.

    Google Scholar 

  3. Amos A. T., Hall G. G., Theoret. Chim. Acta5 (1966), 148.

    Google Scholar 

  4. Cohen M. D., Roothaan C. C. J., J. Chem. Phys.43 (1965), S34.

    Google Scholar 

  5. Musher J. I., J. Chem. Phys.46 (1967), 369.

    Google Scholar 

  6. Dalgarno A., Adv. Phys.11 (1962), 281.

    Google Scholar 

  7. Langhoff P. W., Karplus M., Hurst R. P., J. Chem. Phys.44 (1966), 505.

    Google Scholar 

  8. McWeeny R., Phys. Rev.126 (1962), 1028.

    Google Scholar 

  9. Diercksen G., McWeeny R., J. Chem. Phys.44 (1966), 3554.

    Google Scholar 

  10. McWeeny R., Chem. Phys. Letters1 (1968), 567.

    Google Scholar 

  11. Messiah A., Quantum Mechanics, Vol. II, chap. XVI, § 15, North Holland Publishing Co., Amsterdam 1962.

    Google Scholar 

  12. Roman P., Advanced Quantum Theory, Addison-Wesley Publishing Co., Reading, Mass. 1965, chap. 4–5d.

    Google Scholar 

  13. Ziman J. M., Elements of Advanced Quantum Theory, chap. 4, Cambridge University Press 1969.

  14. Löwdin P. O., Advances in Chemical Physics, Vol. XIV, Ed. by R. Lefebvre and C. Moser, Interscience Publishers, N.Y. 1969, p. 283.

    Google Scholar 

  15. Kato T., Progr. Theor. Phys.4 (1969), 514.

    Google Scholar 

  16. Kato T., Perturbation Theory for Linear Operators, Springer-Verlag, Berlin 1966.

    Google Scholar 

  17. Bloch C., Phys.6 (1958), 329.

    Google Scholar 

  18. Linderberg J., Lecture notes from the International School on Selected Topics in the Quantum Theory of Atoms and Molecules, Hungary, September 1967 (and references therein); Chem. Phys. Letters5 (1970), 134.

    Google Scholar 

  19. Polák R., Collection Czech. Chem. Commun., (submitted for publication).

  20. McWeeny R., Rev. Mod. Phys.32 (1960), 335.

    Google Scholar 

  21. Simonetta M., Gianinetti E., Molecular Orbitals in Chemistry Physics and Biology, Ed. by P. O. Löwdin and B. Pullman, Academic Press Inc., N.Y. 1964, p. 83.

    Google Scholar 

  22. Caves T. C., Karplus M., J. Chem. Phys.50 (1969), 3649.

    Google Scholar 

  23. Goldstone J., Proc. Roy. Soc.A 239 (1957), 267.

    Google Scholar 

  24. Koutecký J., Bonačić V., J. Chem. Phys.55 (1971), 2408.

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Rights and permissions

Reprints and permissions

About this article

Cite this article

Polák, R., Kvasnička, V. Hartree-Fock perturbation theory for systems with one-particle perturbation. Czech J Phys 23, 1298–1304 (1973). https://doi.org/10.1007/BF01586519

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF01586519

Keywords

Navigation