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

Paul W. Ayers, Juan I. Rodriguez

Research output: Contribution to journalArticle

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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.
Original languageAmerican English
Pages (from-to)1540-1545
Number of pages1385
JournalCanadian Journal of Chemistry
DOIs
StatePublished - 1 Oct 2009
Externally publishedYes

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