A method of calculation for the problem of a single substitutional impurity in an infinite lattice is presented. Beeby's generalization of the Korringa-Kohn-Rostoker method of band-structure theory is put into a form suitable for numerical calculation of the charge density on the impurity site, and a preliminary calculation for Cu-Ni is performed. The calculated charge density exhibits the expected 'd resonance' and is in reasonable agreement with experimental data.
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R. Harris (1970) studied this question.
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