Analysis of the self-energy for an electron gas and a proposal of an improved exchange and correlation potential for band calculations

H. Yasuhara and Yasutami Takada
Phys. Rev. B 43, 7200 – Published 15 March 1991
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Abstract

A detailed structural analysis of the self-energy for an electron gas is made with emphasis on the importance of various cancellations due to the Pauli principle. Based on the analysis, we propose an exchange and correlation potential for use in energy-band calculations. The potential contains the information about the effective mass as well as the chemical-potential shift in the form of a nonlocal exchange operator.

  • Received 18 September 1990

DOI:https://doi.org/10.1103/PhysRevB.43.7200

©1991 American Physical Society

Authors & Affiliations

H. Yasuhara

  • College of General Education, Tohoku University, Sendai 980, Japan

Yasutami Takada

  • Institute for Solid State Physics, University of Tokyo, 7-22-1 Roppongi, Minato-ku, Tokyo 106, Japan

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Issue

Vol. 43, Iss. 9 — 15 March 1991

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