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Atomic kinetic- and exchange-energy functionals by means of local-scaling transformations
ArticleAbstract: Using several types of simple generating orbitals, explicit expressions for the kinetic-energy functPalabras claves:density functional theory, Exchange-energy functionals, Kinetic-energy functionals, Local-scaling transformationsAutores:Colle R., Eduardo V. Ludeña, Karasiev V.V., López‐boada 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: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:scopusHartree-Fock calculations in the context of the local-scaling transformation version of density functional theory. Applications to the lithium and beryllium atoms
ArticleAbstract: We advance a reformulation of the Hartree-Fock problem in the context of the local-scaling transformPalabras claves:Beryllium, DFT, Hartree-Fock, Lithium, Local-scaling DFTAutores:Eduardo V. Ludeña, López‐boada 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:scopusSCF calculations with density-dependent local-exchange potential
ArticleAbstract: A new model for the exchange potential in the framework of DFT is proposed. The potential is definedPalabras claves:Autores:Eduardo V. Ludeña, Karasiev V.V., López‐boada R.Fuentes:scopus