Theoretica chimica acta

, Volume 44, Issue 3, pp 279–291 | Cite as

Symmetry adaption reduced to tabulated quantities

  • Gerhard Fieck
Original Investigations

Abstract

The aim of this paper is to give an algebraic formula for symmetry-adapted linear combinations avoiding intuitive or laborious projection operator techniques. By utilization of the tabulated Clebsch-Gordan coefficients and surface harmonics of the point-groups the symmetry-adapted linear combinations are given in formula (4). A five-step algorithm is proposed and the example of a tetrahedron worked out. The relation to methods using site symmetry is discussed.

Key words

Symmetry-adaption formula LCAO, symmetry adapted Symmetry coordinates 

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Copyright information

© Springer-Verlag 1977

Authors and Affiliations

  • Gerhard Fieck
    • 1
  1. 1.Institut für ChemieUniversität RegensburgRegensburgFederal Republic of Germany

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