Pair potentials for liquid sodium near freezing from electron theory and from inversion of the measured structure factor

F. Perrot and N. H. March
Phys. Rev. A 41, 4521 – Published 1 April 1990
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Abstract

An effective pair potential for liquid sodium near freezing has been calculated from electron theory using the density-functional method. The main features of the potential extracted by Reatto, Levesque, and Weis [Phys. Rev. A 33, 3451 (1986)] by inverting the measured structure factor of Greenfield, Wellendorf, and Wiser [Phys. Rev. A 4, 1607 (1971)] are faithfully reflected by electron theory. To obtain precise agreement between the two methods will evidently require further progress in setting up nonlocal exchange and correlation functionals.

  • Received 5 October 1989

DOI:https://doi.org/10.1103/PhysRevA.41.4521

©1990 American Physical Society

Authors & Affiliations

F. Perrot

  • Centre d’Etudes de Limeil-Valenton, 94195 Villeneuve St. Georges CEDEX, France

N. H. March

  • Theoretical Chemistry Department, University of Oxford, 5 South Parks Road, Oxford OX1 3UB, England

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Vol. 41, Iss. 8 — April 1990

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