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A numerical method for the topological analysis of the Laplacian of the electronic charge density in molecules and solids
ArticleAbstract: A numerical method that analyzes the topology of the Laplacian of the electronic density regardlessPalabras claves:Autores:López‐boada R., Rodríguez J.A., Yosslen R. ArayFuentes:scopusApproximate kinetic energy density functionals generated by local-scaling transformations
ArticleAbstract: Different stages in the development of density functional theory are succinctly reviewed for the purPalabras claves:density functional theory, Explicit kinetic energy functionals, Kinetic energy density functionals, Kinetic energy of first-row atoms, Local-scaling transformationsAutores:Eduardo V. Ludeña, López‐boada R., Pino R.Fuentes:scopusGeneration of explicit electron correlation functional by means of local scaling transformations
ArticleAbstract: We discuss in the present work the treatment of electron correlation within the context of the localPalabras claves:DFT, electron correlation, Local scaling transformationAutores:Colle R., Eduardo V. Ludeña, Karasiev V.V., López‐boada R.Fuentes:scopusExact exchange-only density functional theory by means of local scaling transformations
ArticleAbstract: The density-constrained variation of the kinetic energy of a non-interacting system carried out withPalabras claves:Autores:Eduardo V. Ludeña, López‐boada R., Maldonado J.E.Fuentes:scopusExplicit expressions for T<inf>s</inf>[ρ] and E<inf>x</inf>[ρ] by means of padé approximants to local-scaling transformations
ArticleAbstract: Based on Padé approximants to local-scaling transformations, we advance explicit expressions for thePalabras claves:Approximants to local-scaling transformations, density functional theory, Exact exchange only functional, Local-scaling transformation version of density functional theory, Noninteracting kinetic energy functional, PadéAutores:Eduardo V. Ludeña, López‐boada R., Pino R.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