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Self-consistent Green's-function method I. Approximate approach to normalizing the crystal wave function

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Abstract

Using the Green' s function method, the effect of the error in the calculated normalization for the band wave function on the results of self-consistent calculations is investigated. The sensitivity of self-consistently calculated conduction-band parameters to the approximate estimation of the normalized integral is shown to be slight. The investigati on is carried out for metallic lithium in the approximation of a frozen atomic core. The exchange potential is chosen according to Kon and Shen.

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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 11, pp. 108–111, November, 1979.

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Popov, V.A., Fadin, V.P. Self-consistent Green's-function method I. Approximate approach to normalizing the crystal wave function. Soviet Physics Journal 22, 1213–1216 (1979). https://doi.org/10.1007/BF00894976

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Keywords

  • Lithium
  • Wave Function
  • Function Method
  • Exchange Potential
  • Approximate Estimation