Formulation of N- and v-representable density functional theory. Part 6. Fractional occupation numbers

Eugene S. Kryachko, Eduardo V. Ludeña

Producción científica: Contribución a una revistaArtículorevisión exhaustiva

4 Citas (Scopus)

Resumen

The notion of fractional occupation numbers for pure states is formulated within the context of the local-scaling transformation version of density functional theory. In particular, the effect of these transformations on the representation of the one-particle density is analyzed. An expression for the energy as an N-representable function of the fractional occupation number distribution is advanced.

Idioma originalInglés
Páginas (desde-hasta)1-9
Número de páginas9
PublicaciónJournal of Molecular Structure: THEOCHEM
Volumen287
N.ºC
DOI
EstadoPublicada - 14 nov. 1993
Publicado de forma externa

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