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Symmetry adaption reduced to tabulated quantities

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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.

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  1. Institut für Chemie, Universität Regensburg, Universitätsstraβe 31, D-8400, Regensburg, Federal Republic of Germany

    Gerhard Fieck

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  1. Gerhard Fieck
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Fieck, G. Symmetry adaption reduced to tabulated quantities. Theoret. Chim. Acta 44, 279–291 (1977). https://doi.org/10.1007/BF00551170

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