Abstract
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.
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References
J. C. Slater, Phys. Rev. 81, 385 (1951).
E. Wigner, Phys. Bev. 46, 1002 (1934) Trans. Faraday Soc. 34 678 (1938).
W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
E. Wigner and F. Seitz, Phys. Rev. 43, 804 (1933); 46, 509 (1934).
D. A. Liberman, Phys. Rev. B (in press).
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© 1971 Plenum Press, New York
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Liberman, D.A. (1971). A Potential Function for Band Structure Calculations. In: Marcus, P.M., Janak, J.F., Williams, A.R. (eds) Computational Methods in Band Theory. The IBM Research Symposia Series. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-1890-3_40
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DOI: https://doi.org/10.1007/978-1-4684-1890-3_40
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