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Out of one, many Using moment expansions of the...
Journal article

Out of one, many Using moment expansions of the virial relation to deduce universal density functionals from a single system

Abstract

Moment expansions for density functionals are revisited. This allows for a simple proof of the equivalence between the integrodifferential virial relation and the coordinate-scaling equation. The virial relation is then used to show how, starting from an exact and explicit form of a functional for one system, one may deduce the exact functional for other systems with the same number of electrons.

Authors

Ayers PW; Rodriguez JI

Journal

Canadian Journal of Chemistry, Vol. 87, No. 10, pp. 1540–1545

Publisher

Canadian Science Publishing

Publication Date

October 1, 2009

DOI

10.1139/v09-107

ISSN

0008-4042

Labels

Fields of Research (FoR)

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