A Potential Function for Band Structure Calculations

  • David A. Liberman
Part of the The IBM Research Symposia Series book series (IRSS)


Since 1951, when Slater1 proposed the local ρ1/3 approximation for the exchange potential, it has been much used in atomic and solid state band structure calculations. Recently there have been many attempts at modifying the method. Most of these efforts come from solid state physicists which is fair evidence, I think, that the method suffers from real difficulties when used for solids.


Bulk Modulus Cohesive Energy Band Structure Calculation Aluminum Iron Electron Charge Distribution 
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    J. C. Slater, Phys. Rev. 81, 385 (1951).CrossRefGoogle Scholar
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    E. Wigner, Phys. Bev. 46, 1002 (1934) Trans. Faraday Soc. 34 678 (1938).Google Scholar
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    W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).CrossRefGoogle Scholar
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    E. Wigner and F. Seitz, Phys. Rev. 43, 804 (1933); 46, 509 (1934).CrossRefGoogle Scholar
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    D. A. Liberman, Phys. Rev. B (in press).Google Scholar

Copyright information

© Plenum Press, New York 1971

Authors and Affiliations

  • David A. Liberman
    • 1
  1. 1.Los Alamos Scientific LaboratoryUniversity of CaliforniaLos AlamosUSA

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