Formulation of N- and v-representable density-functional theory. I. Ground states

Eugene S. Kryachko, Eduardo V. Ludea

Producción científica: Contribución a una revistaArtículorevisión exhaustiva

64 Citas (Scopus)

Resumen

A rigorous version of N- and v-representable energy density-functional theory, formulated in the context of local-scaling transformations, is advanced. The importance of N-representability conditions for the formulation of a density-functional theory that complies with the variational principle is discussed, and particular emphasis is placed in distinguishing functional from one-particle density N and v representability. It is shown, by resorting to local-scaling transformations, how it is possible to actually construct an energy density functional that at all points of variation is strictly equivalent to the expectation value of the N-particle wave function from which the one-particle density is obtained, that is, an energy density functional with built-in N-representability conditions. Some relationships between the present theory and those based on the Hohenberg-Kohn theorems are discussed. In illustration, simple applications of the present theory to two-electron systems are given.

Idioma originalInglés
Páginas (desde-hasta)2179-2193
Número de páginas15
PublicaciónPhysical Review A
Volumen43
N.º5
DOI
EstadoPublicada - 1991
Publicado de forma externa

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