Asymptotic relation between eigenvalue sum and chemical potential for electrons moving in bare point-charge potentials in d dimensions

N. H. March
Phys. Rev. A 30, 2936 – Published 1 December 1984
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Abstract

For electrons moving independently in a d-dimensional bare point-charge potential, the Euler equation of density-functional theory in the limit of large numbers of electrons, N, is combined with the virial theorem to relate the sum of eigenvalues E to the chemical potential μ. The result is ENμ=d(4d)(4+2dd2)α1. This result (I) is verified by direct calculation of both E and μ for d=1,2, and 3 in the asymptotic limit of large N. Neither does there seem to be any difficulty in applying (I) for d5. But evidently ENμ=0 for d=4; an immediate consequence of the virial theorem for this dimensionality. Viewed as a continuous function of d, ENμ is singular at d=1+5 and is negative for 1+5<d<4. Excluding this pathological regime of d, it can be shown from (I) that, for a point charge Ze, E=F(Z,d)Nα, where the exponent α is given by (I).

  • Received 10 May 1984

DOI:https://doi.org/10.1103/PhysRevA.30.2936

©1984 American Physical Society

Authors & Affiliations

N. H. March

  • Theoretical Chemistry Department, University of Oxford, 1 South Parks Road, Oxford OX1 3TG, England

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Issue

Vol. 30, Iss. 6 — December 1984

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