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International Journal of Quantum Chemistry(18)
Journal of Chemical Physics(7)
The Journal of Chemical Physics(7)
Journal of Molecular Structure: THEOCHEM(6)
Physical Review A - Atomic, Molecular, and Optical Physics(5)
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Química analítica(26)
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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: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: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: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:scopusAn 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: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:scopusAnalysis of the stability of finite subspaces in density functional theory
ArticleAbstract: We study the problem of the stability of finite subspaces with respect to the external potential inPalabras claves:DFT, Finite subspaces, Hydrogen atomAutores:Boada R.L., Bokanowski O., Eduardo V. Ludeña, Pino R.Fuentes:scopusAnalytical method for the representation of atoms-in-molecules densities
ArticleAbstract: We present analytic refinements and applications of the deformed atomic densities method [FernándezPalabras claves:Atoms in molecules, Electronic density, Molecular density, Slater functionsAutores:Eduardo V. Ludeña, Ema I., López R., Ramírez G., Rico J.Fuentes:scopus