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Theoretica chimica acta

, Volume 40, Issue 4, pp 283–285 | Cite as

Configuration interaction by the method of bonded functions

Construction of a complete and unique list of bonded functions
  • Geerd H. F. Diercksen
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Abstract

An approach is described to construct a complete and unique list of bonded functions for arbitrary spin states from any number of reference functions, any degree of orbital substitution, and any orbital pool.

Key words

Configuration interaction Bonded functions 

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References

  1. 1.
    Diercksen,G.H.F., Sutcliffe,B.T.: Theoret. Chim. Acta (Berl.)34, 105 (1974)CrossRefGoogle Scholar
  2. 2.
    Boys,S.F., Reeves,C.M., Shavitt,I.: Nature178, 1207 (1956); Reeves,C.M.: Ph.D. Thesis, Cambridge 1957, Commun. ACM9, 276 (1966)CrossRefGoogle Scholar
  3. 3.
    Sutcliffe,B.T.: The POLYATOM System, Part III. Configuration interaction subroutine. Houlden, S.A.: Ph.D. Thesis, Toronto 1971Google Scholar
  4. 4.
    Diercksen,G.H.F., Kraemer,W.P.: MUNICH Molecular Program System, Reference Manual, Special Technical Report, München: Max Planck Institut für Physik und Astrophysik (to be published)Google Scholar

Copyright information

© Springer-Verlag 1975

Authors and Affiliations

  • Geerd H. F. Diercksen
    • 1
  1. 1.Max-Planck-Institut für Physik und AstrophysikMünchen

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