Theoretica chimica acta

, Volume 59, Issue 1, pp 47–54 | Cite as

The combinatorics of symmetry adaptation

  • K. Balasubramanian
Original Investigations

Abstract

A method is developed for obtaining the generating functions for the equivalence classes of orbitals wherein only orbitals within an equivalence class participate in symmetry adaptation. It is shown that using Williamson's combinatorial theorem the generating functions for the symmetry species contained in each equivalence class can be obtained. The method is illustrated with Porphindianion.

Key words

Combinatorics of symmetry adaptation Williamson's theorem Generation of symmetry species of MOs 

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References

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Copyright information

© Springer-Verlag 1981

Authors and Affiliations

  • K. Balasubramanian
    • 1
  1. 1.Department of ChemistryThe Johns Hopkins UniversityBaltimoreUSA

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