Advertisement

Theoretica chimica acta

, Volume 36, Issue 4, pp 297–308 | Cite as

Calculation of the brueckner orbitals and generalized natural orbitals

  • Vladimir Kvasnička
Commentationes

Abstract

The diagrammatic-perturbation approach for the construction of the one-particle Hermitian pseudoeigenvalue problem determining the Brueckner orbitals and/or generalized natural orbitals is elaborated.

Key words

Brueckner orbitals Generalized natural orbitals Diagrammatic perturbation theory 

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.
    Kutzelnigg,W., Smith,V.H.: J. Chem. Phys. 41, 896 (1964);Google Scholar
  2. 1. a)
    Quantum Chemistry Group, Report No. 130 (1964)Google Scholar
  3. 2.
    Brueckner,K.A., Wada,V.: Phys. Rev. 103, 1008 (1956)Google Scholar
  4. 3.
    Nesbet,R.K.: Phys. Rev. 109, 1632 (1958)Google Scholar
  5. 4.
    Löwdin,P.O.: J. Math. Phys. 3, 1171 (1962)Google Scholar
  6. 5.
    Löwdin,P.O.: J. Math. Phys. 3, 969 (1962)Google Scholar
  7. 6.
    Brenig,W.: Nucl. Phys. 4, 363 (1957)Google Scholar
  8. 7.
    Primas,H.: Helv. Chim. Acta 47, 1840 (1964); see also: Modern quantum chemistry, Istanbul lectures, Part II. Sinanoglu,O., (Ed.). New York: Academic Press 1965Google Scholar
  9. 8.
    Kobe,D.H.: Phys. Rev. C 3, 417 (1971)Google Scholar
  10. 9.
    Paldus,J., Čižek,J., Keating,B.A.: Phys. Rev. A 8, 640 (1973)Google Scholar
  11. 10.
    Vojtík,J.: Phys. Rev. C (to be published)Google Scholar
  12. 11.
    Löwdin,P.O.: Phys. Rev. 97, 1474 (1955); see also Advan. Chem. Phys. 2, 207 (1959)Google Scholar
  13. 12.
    Kobe,D.H.: J. Chem. Phys. 50, 5183 (1969)Google Scholar
  14. 13.
    Schäfer,L., Weidenmüller,H.A.: Nucl. Phys. A 174, 1 (1971)Google Scholar
  15. 14.
    Larsson,S., Smith,V.H.: Phys. Rev. 178, 137 (1969)Google Scholar
  16. 15.
    Larsson,S.: Chem. Phys. Letters 7, 165 (1970)Google Scholar
  17. 16.
    Staemmler,S., Jungen,M.: Theoret. Chim. Acta (Berl.) 24, 152 (1972)Google Scholar
  18. 17.
    Čižek,J., Paldus,J., Šroubková,L.: Intern. J. Quantum Chem. 3, 149 (1969)Google Scholar
  19. 18.
    Kobr,M.: MSc-Thesis, Department of Physical Chemistry, Charles University, 1972 (unpublished)Google Scholar
  20. 19.
    Kutzelnigg,W.: Theoret. Chim. Acta (Berl.) 1, 327 (1963)Google Scholar
  21. 20.
    Davidson,E.R.: Rev. Mod. Phys. 44, 451 (1972)Google Scholar
  22. 21.
    Reid,C.E., Öhrn,Y.: Rev. Mod. Phys. 35, 445 (1963)Google Scholar
  23. 22.
    Nazaroff,G.V.: J. Chem. Phys. 48, 3517 (1968)Google Scholar
  24. 23.
    Reinhardt,W.P., Doll,J.D.: J. Chem. Phys. 50, 2767 (1969)Google Scholar
  25. 24.
    Albat,R.: Z. Naturforsch. 27a, 545 (1972)Google Scholar
  26. 25.
    Cederbaum,L.S., Hohlneicher,G., Peyerimhoff,S.: Chem. Phys. Letters 11, 421 (1971)Google Scholar
  27. 26.
    Cederbaum,L.S., Hohlneicher,G., von Niessen,W.: Chem. Phys. Letters 18, 503 (1973)Google Scholar
  28. 27.
    Cederbaum,L.S.: Theoret. Chim. Acta (Berl.) 31, 329 (1973)Google Scholar
  29. 28.
    Doll,J.D., Reinhardt,W.P.: J. Chem. Phys. 57, 1169 (1972)Google Scholar
  30. 29.
    Hubač,I., Kvasnička,V., Holubec,A.: Chem. Phys. Letters 23, 381 (1973)Google Scholar
  31. 30.
    Kvasnička,V., Hubač,I.: J. Chem. Phys. 60, 4483 (1974)Google Scholar
  32. 31.
    Čížek,J., Paldus,J.: Intern. J. Quantum Chem. 6 S, 435 (1972)Google Scholar
  33. 32.
    Kvasnička,V., Holubec,A., Hubač,I.: Chem. Phys. Letters 24, 361 (1974)Google Scholar
  34. 33.
    Brandow,B.H.: Rev. Mod. Phys. 39, 771 (1967)Google Scholar
  35. 34.
    Brandow,B.H.: Lectures in theoretical physics, Vol. XIB. Mahantheppa,K.T., Brittin,W.E. (Eds.). New York: Gordon and Breach 1969Google Scholar
  36. 35.
    Brandow,B.H.: Ann. Phys. (N.Y.) 57, 214 (1970)Google Scholar
  37. 36.
    Day,B.D.: Rev. Mod. Phys. 39, 719 (1967)Google Scholar
  38. 37.
    Kirson,M.V.: The structure of nuclei, IAEA, Vienna 1972, p. 257Google Scholar
  39. 38.
    Barrett,B.R., Kirson,M.W.: Advan. Nucl. Phys. 6, 219 (1973)Google Scholar
  40. 39.
    Kirson,M.W.: Nucl. Phys. A 115, 49 (1968)Google Scholar
  41. 40.
    Čížek,J.: Advan. Chem. Phys. 14, 35 (1969)Google Scholar
  42. 41.
    Hugenholtz,N.M.: Physica 23, 481 (1957)Google Scholar
  43. 42.
    Roman,P.: Advanced quantum theory. Reading, Mass.: Addison-Wesley 1965Google Scholar
  44. 43.
    Thouless,D.J.: Quantum mechanics of many-body systems. New York: Academic Press 1961Google Scholar
  45. 44.
    Nesbet,R.K.: Advan. Chem. Phys. 9, 321 (1965)Google Scholar
  46. 45.
    Roothaan,C.C.J.: Rev. Mod. Phys. 23, 69 (1951)Google Scholar
  47. 46.
    Kvasnička,V.: Czech. J. Phys. B 24, 605 (1974)Google Scholar
  48. 47.
    Kvasnička,V.: Czech. J. Phys. (to be published)Google Scholar

Copyright information

© Springer-Verlag 1975

Authors and Affiliations

  • Vladimir Kvasnička
    • 1
  1. 1.Department of Organic ChemistrySlovak Technical University BratislavaCzechoslovakia

Personalised recommendations