Completely local relativistic density-functional theory: The role of the virial

N. H. March
Phys. Rev. A 48, 4778 – Published 1 December 1993
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Abstract

Starting from a completely local relativistic density-functional theory, the total kinetic energy is first related to the virial plus contributions from the chemical potential of the electron cloud and classical potential-energy terms. Using the derivative of the Euler equation of the theory, the force term is then replaced in the virial by a function of the ground-state electron density. The theory is exemplified by two examples: (a) the relativistic Thomas-Fermi theory due to Vallarta and Rosen, and (b) heavy atoms in intense magnetic fields.

  • Received 26 July 1993

DOI:https://doi.org/10.1103/PhysRevA.48.4778

©1993 American Physical Society

Authors & Affiliations

N. H. March

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

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Issue

Vol. 48, Iss. 6 — December 1993

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