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Charge distribution analysis in terms of Berlin's binding and antibinding regions for Li<inf>2</inf> and F<inf>2</inf>
ArticleAbstract: The MCSCF wave functions of Das for Li2, and Das and Wahl for F2, have been analyzed in terms of BerPalabras claves:Autores:Eduardo V. Ludeña, Zuvia M.Fuentes:scopusAtomic SCF loge localized wave functions
ArticleAbstract: We report in this work SCF atomic calculations for Li, Be, B, C, and Ne using a basis set of completPalabras claves:Autores:Eduardo V. LudeñaFuentes:scopusAtomic 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:scopusDensity functional theory formalism
ArticleAbstract: A derivation and formulation of density functional theory, which eliminates the formal and practicalPalabras claves:Autores:Eduardo V. Ludeña, Keller J.Fuentes:scopusDensity functional theory test study on the CO ···· He dimer
ArticleAbstract: In the current paper we have investigated the bonding properties of the weakly bound van der Waals CPalabras claves:Ab initio, CO-He, density, functional, Van der WaalsAutores:Eduardo V. Ludeña, Hernandez A.J., José Luis Paz, Manzanares I C., Salazar M.C.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: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: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:scopus