On the N-representability and universality of F[ρ] in the Hohenberg-Kohn-Sham version of density functional theory

Eduardo V. Ludeña, Francesc Illas, Alejandro Ramirez-Solis

Producción científica: Contribución a una revistaArtículorevisión exhaustiva

8 Citas (Scopus)

Resumen

We discuss two basic problems in the Hohenberg-Kohn-Sham version of density functional theory, HKS-DFT: the first, the N-representability of the functional F[ρ] and, the second, the universality of F[ρ]. In relation to the first, we show that F[ρ] must satisfy N-representability conditions that follow from those on the 2-matrix D2(r1, r2; r′, r′2). In the case of the second, we provide arguments based on the equivalence between ab initio DFT and HKS-DFT to show that the functional F[ρ] is not universal.

Idioma originalInglés
Páginas (desde-hasta)4642-4654
Número de páginas13
PublicaciónInternational Journal of Modern Physics B
Volumen22
N.º25-26
DOI
EstadoPublicada - 20 oct. 2008
Publicado de forma externa

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