COUPLING COEFFICIENTS FOR COMPUTATIONALLY USEFUL DEFINITIONS OF UNIQUE ELECTRON REPULSION INTEGRALS
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Ohio State University
Abstract
Symmetry coupling coefficients, directly related to vector coupling coefficients, are defined, They are used to simplify the definition and computation of electron repulsion integrals by the equal contribution method. Examples of their application and relationship to other definitions for ligand field d-orbital integrals are given.
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Author Institution: Deparment of Chemistry, The ohio State University