Calculations with “Non-Muffin Tin” Potentials by the Green’s Function Method

  • Benjamin Segall
Part of the The IBM Research Symposia Series book series (IRSS)


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.


Plane Wave Spherical Harmonic Perturbation Calculation Crystal Potential Secular Perturbation 
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  1. 1.
    In this approximate form the potential is spherically symmetric inside non-overlapping spheres centered on the nuclei and constant elsewhere.Google Scholar
  2. 2.
    An early estimation of these perturbations in Al were given in B. Segall, Phys. Rev. 124, 1797 (1961).CrossRefGoogle Scholar
  3. 3.
    F. S. Ham and B. Segall, Phys. Rev. 124, 1786 (1961).CrossRefGoogle Scholar
  4. k. A. R. Williams, Phys. Rev. (to be published).Google Scholar
  5. 5.
    B. Segall, Phys. Rev. 105, 108 (1957).CrossRefGoogle Scholar
  6. 6.
    H. L. Davis, unpublished.Google Scholar

Copyright information

© Plenum Press, New York 1971

Authors and Affiliations

  • Benjamin Segall
    • 1
  1. 1.Case Western Reserve UniversityUSA

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