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Assessment 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:scopusBasis set dependent SCα exchange-only and exchange-correlation calculations
ArticleAbstract: The basis set dependent SCα approximation was applied to the LDA, PW91, and B1x exchange functionalPalabras claves:Autores:Eduardo V. Ludeña, Gonzalez C.A., González I., Hernandez A.J., Karasiev V.V.Fuentes:scopusAnalysis of dynamical and nondynamical components of electron correlation energy by means of local-scaling density-functional theory
ArticleAbstract: The partitioning of electron correlation energy into dynamical and nondynamical components is examinPalabras claves:Autores:Eduardo V. Ludeña, Hinze J., Valderrama E.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:scopusErratum: Basis set dependent SCα exchange-only and exchange-correlation calculations (J. Chem. Phys. (2003) 118 (8161))
OtherAbstract:Palabras claves:Autores:Eduardo V. Ludeña, Gonzalez C.A., González I., Hernandez A.J., Karasiev V.V.Fuentes:scopusNon-Born-Oppenheimer electronic and nuclear densities for a Hooke-Calogero three-particle model: Non-uniqueness of density-derived molecular structure
ArticleAbstract: We consider the calculation of non-Born-Oppenheimer, nBO, one-particle densities for both electronsPalabras claves:Autores:Echevarra L., Eduardo V. Ludeña, Lopez X., Ugalde J.M.Fuentes:scopusNon-Born-Oppenheimer treatment of the H <inf>2</inf> Hookean molecule
ArticleAbstract: We show that the exact non-Born-Oppenheimer Schrödinger equation for the Hookean diatomic molecule HPalabras claves:Autores:Eduardo V. Ludeña, Lopez X., Ugalde J.M.Fuentes:scopusHartree-Fock energy-density functionals generated by local-scaling transformations: Applications to first-row atoms
ArticleAbstract: We report energy calculations of selected first-row atoms using explicit approximate Hartree-Fock fuPalabras claves:Autores:Eduardo V. Ludeña, Karasiev V.V., López‐boada R., Pino R.Fuentes:scopus