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International Journal of Quantum Chemistry(2)
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scopus(5)
Formulation of N- and v-representable density functional theory. Part 6. Fractional occupation numbers
ArticleAbstract: The notion of fractional occupation numbers for pure states is formulated within the context of thePalabras claves:Autores:Eduardo V. Ludeña, Kryachko E.S.Fuentes:scopusFormulation of N- and v-representable density functional theory. VIII. Relationship between the density-driven and the local-scaling versions
ArticleAbstract: It is shown that Cioslowski's density-driven construction of one-particle orbitals corresponds to aPalabras claves:Autores:Eduardo V. Ludeña, Kryachko E.S.Fuentes:scopusFormulation of N- and v-representable density-functional theory. II. Spin-dependent systems
ArticleAbstract: The local-scaling transformation version of density-functional theory is extended to the case of spiPalabras claves:Autores:Eduardo V. Ludeña, Kryachko E.S.Fuentes:scopusFormulation of N‐ and ν‐representable density functional theory. V. Exchange‐only self‐consistent field
ArticleAbstract: The concept of a self‐consistent field is developed within the version of density functional theoryPalabras claves:Autores:Eduardo V. Ludeña, Kryachko E.S.Fuentes:scopusLocal‐scaling transformation version of density functional theory
ArticleAbstract: The local‐scaling transformation version of density functional theory (LS‐DFT) is reviewed. It is shPalabras claves:Autores:Eduardo V. Ludeña, Hinze J., Koga T., Kryachko E.S., López‐boada R., Maldonado J.E., Valderrama E.Fuentes:scopus