The multiple-scattering model of molecular electronic structure, in conjunction with the Korringa-Kohn-Rostoker method of band theory, is used as the basis for a cluster approach to calculating the one-electron states of complex molecules and solids. Illustrative examples include the molecular clusters CH₄ and NH₄⁺, the pyrite crystal CuS₂, a polyene chain molecule, and a substitutional impurity cluster.
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Johnson et al. (1970) studied this question.
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