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

Producción científica: Contribución a una revistaArtículorevisión exhaustiva

9 Citas (Scopus)

Resumen

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.

Idioma originalInglés
Páginas (desde-hasta)1540-1545
Número de páginas6
PublicaciónCanadian Journal of Chemistry
Volumen87
N.º10
DOI
EstadoPublicada - oct. 2009
Publicado de forma externa

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