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A 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 Finite B-Spline Basis Set for Accurate Diatomic Molecule Calculations
ArticleAbstract: A finite basis set particularly adapted for solving the Hartree-Fock equation for diatomic moleculesPalabras claves:B-spline basis set, Diatomic molecule calculationsAutores:Artemyev A., Eduardo V. Ludeña, Hernandez A.J., 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:scopusA general justification for hybrid functionals in DFT by means of linear response theory
ArticleAbstract: In the present work, resorting to linear response theory, we examine the plausibility of postulatingPalabras claves:DFT, Görling-Levy PT, hybrid functionals, Kohn-Sham PT, linear response, OEPAutores:Eduardo V. Ludeña, Fernando Javier Torres, Luis RinconFuentes:googlescopusA re-statement of the Hohenberg-Kohn theorem and its extension to finite subspaces
ArticleAbstract: Bearing in mind the insight into the Hohenberg-Kohn theorem for Coulomb systems provided recently byPalabras claves:DFT, Finite subspaces, Hohenberg-Kohn theoremAutores:Boada R.L., Bokanowski O., Eduardo V. Ludeña, Pino R.Fuentes:scopusA reinterpretation of the nature of the Fermi hole
ArticleAbstract: A reinterpretation of the Boyd-Coulson definition of the Fermi hole in order to remove from it the rPalabras claves:Autores:Eduardo V. Ludeña, Lopez X., Ramírez G., Rico J., Ugalde J.M.Fuentes:scopusCharge 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:scopusAssessment of dynamical and nondynamical correlation energy components for the beryllium-atom isoelectronic sequence
ArticleAbstract: The partitioning of electron correlation energy into dynamical and nondynamical components is examinPalabras claves:Autores:Eduardo V. Ludeña, Hinze J., Valderrama E.Fuentes:scopusAsymptotically adjusted self-consistent multiplicative parameter exchange-energy-functional method: Application to diatomic molecules
ArticleAbstract: An asymptotically adjusted self-consistent [Formula Presented] [Formula Presented] method is advancePalabras claves:Autores:Eduardo V. Ludeña, Karasiev V.V.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:scopus