Calculations with “Non-Muffin Tin” Potentials by the Green’s Function Method
A discussion is given of a procedure within the framework of the Green’s function (or KKR) method for calculating the perturbations of the energy bands due to deviations from a “muffin-tin” potential. The essential aspect of the approach is the determination of accurate wave functions in practical forms in the regions inside and outside the “muffin-tin” spheres. The forms of the perturbing potential in these regions are also discussed. This procedure was suggested by F. S. Ham and the author who applied it (in low order perturbation theory) to the case of the Mathieu potential.
KeywordsPlane Wave Spherical Harmonic Perturbation Calculation Crystal Potential Secular Perturbation
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