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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:scopusExact analytic total energy functional for Hooke's atom generated by local-scaling transformations
Conference ObjectAbstract: An analytic closed form for the total energy density functional for Hooke's atom - an artificial twoPalabras claves:DFT, Hooke's atom, Local-scaling transformations, LS-DFTAutores:Eduardo V. Ludeña, Gómez D., Karasiev V.V., Nieto P.Fuentes:scopusRealizations of the noninteracting kinetic energy functional enhancement factor through local-scaling transformations: Atoms
Conference ObjectAbstract: Within the framework of the local-scaling version of density functional theory, we deal with the proPalabras claves:density functional theory, Local-scaling transformations, Noninteracting kinetic energy functional, Slater-type orbitalsAutores:Echevarría L., Eduardo V. Ludeña, Karasiev V.V.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:scopusStudy of some simple approximations to the non-interacting kinetic energy functional
ArticleAbstract: Within the framework of density functional theory, a study of approximations to the enhancement factPalabras claves:density functional theory, Enhancement factor, Kinetic energy functional, Kohn–Sham formalismAutores:Edison Salazar, Eduardo V. Ludeña, Karasiev V.V., Mauricio Heriberto Cornejo, Pedro F. GuarderasFuentes:scopusThe Liu-Parr power series expansion of the Pauli kinetic energy functional with the incorporation of shell-inducing traits: Atoms
ArticleAbstract: An approximate expression for the Pauli kinetic energy functional Tp is advanced in terms of the LiuPalabras claves:density functional theory, Enhancement factor, Kinetic energy functional, Kohn-Sham, Pauli functionalAutores:Darío E. Arroyo, Edison Salazar, Eduardo V. Ludeña, Karasiev V.V., Mauricio Heriberto CornejoFuentes:scopus