Correlation energy and the virial theorem

Leonard Kleinman
Phys. Rev. B 43, 3918 – Published 15 February 1991
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Abstract

The virial theorem 2EK+EP=3pV, where p is pressure and V is volume, is known to hold for point particles with Coulomb interactions. It is often assumed to hold for electrons in a rigid jellium background but it is not obvious that such is the case. We show that the virial theorem is obeyed providing the correlation energy has the dimensionally correct form e4f(e2rs), where f is an arbitrary function in units of Ry, rs is the electron sphere radius in bohrs, and e2=1 is the dimensionless coupling constant.

  • Received 27 August 1990

DOI:https://doi.org/10.1103/PhysRevB.43.3918

©1991 American Physical Society

Authors & Affiliations

Leonard Kleinman

  • Department of Physics, University of Texas, Austin, Texas 78712

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Vol. 43, Iss. 5 — 15 February 1991

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