A diagram technique for nonorthogonal electron group functions. I. Right coset decomposition of symmetric group

L. N. Kantorovich, B. P. Zapol

Research output: Contribution to journalArticlepeer-review

14 Citations (Scopus)

Abstract

For an N-electron system partitioned into a set of electron groups, an expanded arrow diagram (EAD) technique is proposed. It is useful when the wave function of the system is approximated by an antisymmetrized product of mutually nonorthogonal group functions. The technique provides a graphic representation of the right (left) coset decomposition of the symmetric group SN with respect to its subgroup So generated by all the intragroup permutations. The connection between the EADs and arrow diagrams of Matsen, Klein et al., and Wilson is stated and used to prove the validity of the arrow diagram representation of the double coset decomposition of SN with respect to So, as well as to obtain the decomposition coefficients explicitly. The technique is applicable to systems composed of any finite or infinite number of electron groups each containing an arbitrary number of electrons.

Original languageEnglish
Pages (from-to)8420-8426
Number of pages7
JournalThe Journal of Chemical Physics
Volume96
Issue number11
DOIs
Publication statusPublished - 1992
Externally publishedYes

Field of Science

  • 1.3 Physical sciences

Publication Type

  • 1.1. Scientific article indexed in Web of Science and/or Scopus database

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