Exchange and correlation potentials for electron-ion systems at finite temperatures

François Perrot and M. W. C. Dharma-wardana
Phys. Rev. A 30, 2619 – Published 1 November 1984
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Abstract

We have calculated the exchange and correlation corrections to the free energy (Fxc) and the chemical potential (μxc) of an electron system at arbitrary degeneracies and temperatures. These are needed for density-functional, average-atom-type calculations of properties of plasmas and liquid metals. The problem of inverting the parametric relation between μxc and the density correction nxc is considered. We present easy-to-use analytic fits to Fxc and μxc as functions of the temperature and density. We also consider the effect of a lineraly responding ion background on the electron chemical potential as well as the ion chemical potential, as these are needed in calculations of ionelectron systems at arbitrary degeneracies and densities.

  • Received 29 May 1984

DOI:https://doi.org/10.1103/PhysRevA.30.2619

©1984 American Physical Society

Authors & Affiliations

François Perrot

  • Centre d'Etudes de Limeil-Valenton, BP27, 94190 Villeneuve St. Georges, France

M. W. C. Dharma-wardana

  • Division of Microstructural Sciences, National Research Council of Canada, Ottawa, Canada K1A 0R6

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Issue

Vol. 30, Iss. 5 — November 1984

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