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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:scopusAnalysis of various quantum mechanical and DFT energy definitions. Application to atomic isoelectronic series
ArticleAbstract: Relations between the quantum mechanical and density functional theory definitions for exchange, excPalabras claves:Correlation energy, density functional theory, Exchange-correlation functionals, Isoelectronic seriesAutores:Eduardo V. Ludeña, Karasiev V.V., Valderrama E.Fuentes:scopusA DFT variational approach to Hooke's atom based on local-scaling transformations
Conference ObjectAbstract: The local-scaling transformation version of density functional theory, LS-DFT, is employed in orderPalabras claves:density functional theory, Hooke's atom, Local-scaling transformationsAutores:Artemyev A., Eduardo V. Ludeña, Karasiev V.V.Fuentes:scopusA density functional theory test study on the N<inf>2</inf>⋯He dimer
ArticleAbstract: In the present contribution we report a study of the weakly bound van der Waals N2-He molecule in thPalabras claves:density functional theory, Energy surface, Van der WaalsAutores:Eduardo V. Ludeña, Hernandez A.J., José Luis Paz, Manzanares I C., Salazar M.C.Fuentes: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: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:scopusNon-Born–Oppenheimer electron, nuclear and nuclear–electron second-order density matrices for exactly solvable four-particle model system
ArticleAbstract: Properties of the non-Born–Oppenheimer two-matrix are examined for four-particle systems of the CoulPalabras claves:density functional theory, Few body systems, Reduced density matrix, Two-matrixAutores:Dick Zambrano Salinas, Eduardo V. Ludeña, Mauricio Heriberto Cornejo, P. Iza, Peter IzaFuentes:googlescopusOn the N-representability and universality of F[ρ] in the Hohenberg-Kohn-Sham version of density functional theory
Conference ObjectAbstract: We discuss two basic problems in the Hohenberg-Kohn-Sham version of density functional theory, HKS-DPalabras claves:density functional theory, N-representability, universalityAutores:Eduardo V. Ludeña, Illas F., Ramirez-Solis A.Fuentes:scopusLocality of the exchange energy functional
ArticleAbstract: The local character of the exchange functional E(x)[ρ] is investigated. Through the analysis of twoPalabras claves:density functional theory, Exchange energy, LocalityAutores:Eduardo V. Ludeña, López‐boada R., Pino R.Fuentes:scopusIs the Hohenberg-Kohn-Sham version of DFT a semi-empirical theory?
Conference ObjectAbstract: The question of whether the Hohenberg-Kohn-Sham version of density functional theory (HKS-DFT), a sePalabras claves:density functional theory, Hohenberg-Kohn-Sham, Legendre transformationAutores:Eduardo V. LudeñaFuentes:scopus