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A variational principle for the electron density...
Journal article

A variational principle for the electron density using the exchange hole & its implications for N-representability

Abstract

We show that the exchange hole determines both the electron density and the number of electrons through a variational principle. An eigenvalue condition related to the exchange hole is also derived. These results provide N-representability constraints on the exchange hole and limit the forms of model exchange holes. Whether a similar principle holds for the exchange-correlation hole is an open question.

Authors

Ayers PW; Cuevas-Saavedra R; Chakraborty D

Journal

Physics Letters A, Vol. 376, No. 6-7, pp. 839–844

Publisher

Elsevier

Publication Date

January 2012

DOI

10.1016/j.physleta.2012.01.028

ISSN

0375-9601

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