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An approximate universal energy functional in density functional theory
ArticleAbstract: Using Harriman's orthonormal set, a closed expression for the reduced first order density operator γPalabras claves:Autores:Eduardo V. LudeñaFuentes:scopusConfiguration interaction calculations for two-electron atoms in a spherical box
ArticleAbstract: We report calculations of the ground state (1S) correlation energy for the two electron systems He,Palabras claves:Autores:Eduardo V. Ludeña, Gregori M.Fuentes:scopusFormulation of N- and v-representable density functional theory. VIII. Relationship between the density-driven and the local-scaling versions
ArticleAbstract: It is shown that Cioslowski's density-driven construction of one-particle orbitals corresponds to aPalabras claves:Autores:Eduardo V. Ludeña, Kryachko E.S.Fuentes:scopusElectronic ground state and wavefunctions for scandium monoxide
ArticleAbstract: Approximate wavefunctions for ScO have been calculated by the method of Roothaan to establish the grPalabras claves:Autores:Douglas Carlson R., Eduardo V. Ludeña, Moser C.Fuentes:scopusElectronic loge localized functions for be
ArticleAbstract: A model of complete loge localization is employed in the description of the electronic ground statePalabras claves:Autores:Amzel V., Eduardo V. LudeñaFuentes:scopusNonvariational configuration interaction calculations by local scaling method
ArticleAbstract: To first order, the Hartree-Fock one-electron density of a given state of an N-electron system is idPalabras claves:Autores:Eduardo V. Ludeña, Koga T., Yamamoto Y.Fuentes:scopusOn the nature of the correction to the Weizsacker term
ArticleAbstract: It is shown that the reduced first-order density matrix may be written as γ1(1, 2)=ρ1/2(1)ρ1, 2(2)[1Palabras claves:Autores:Eduardo V. LudeñaFuentes:scopusLocal-scaling transformations and the direct determination of Kohn-Sham orbitals and potentials for beryllium
ArticleAbstract: Local-scaling transformations are used in the present work to obtain accurate Kohn-Sham 1s and 2s orPalabras claves:Autores:Eduardo V. Ludeña, Koga T., Kryachko E.S., López‐boada R., Maldonado J.E.Fuentes:scopusLoge localization analysis of diatomic molecules: Li<inf>2</inf> and F <inf>2</inf>
ArticleAbstract: The electronic wavefunctions of Das for Li2, and of Das and Wahl for Lis and F2 have been employed iPalabras claves:Autores:Eduardo V. Ludeña, Hernandez A.Fuentes:scopusSCF Hartree-Fock calculations of ground state wavefunctions of compressed atoms
ArticleAbstract: SCF Hartree-Fock wavefunctions have been calculated for the ground state configurations of He, Li, BPalabras claves:Autores:Eduardo V. LudeñaFuentes:scopus