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Density functional theory: Foundations reviewed
ReviewAbstract: Guided by the above motto (quotation), we review a broad range of issues lying at the foundations ofPalabras claves:Autores:Eduardo V. Ludeña, Kryachko E.S.Fuentes:scopusFormulation 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. I. Ground states
ArticleAbstract: A rigorous version of N- and v-representable energy density-functional theory, formulated in the conPalabras 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 υ-representable density functional theory. III: Excited states
ArticleAbstract: The local-scaling transformation version of density functional theory is extended to the treatment oPalabras claves:Autores:Eduardo V. Ludeña, Koga T., Kryachko E.S.Fuentes:scopusFormulation of N‐ and v‐representable density functional theory. IV. Non‐Born–Oppenheimer approach
ArticleAbstract: Local‐scaling transformations are employed in order to formulate a desity functional theory where boPalabras claves:Autores:Eduardo V. Ludeña, Kryachko E.S., Mujica V.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:scopusMany-electron energy-density-functional theory: Point transformations and one-electron densities
ArticleAbstract: A novel approach to energy-density-functional theory, based on point transformations in coordinate tPalabras claves:Autores:Eduardo V. Ludeña, Kryachko E.S.Fuentes:scopusLocal-scaling transformations and the direct determination of Kohn-Sham orbitals and potentials for beryllium
ArticleAbstract: Local-scaling transformations are used in the present work to obtain accurate Kohn-Sham 1s and 2s orPalabras claves:Autores:Eduardo V. Ludeña, Koga T., Kryachko E.S., López‐boada R., Maldonado J.E.Fuentes:scopus