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International Journal of Quantum Chemistry(2)
Journal of Molecular Structure: THEOCHEM(2)
Physical Review A - Atomic, Molecular, and Optical Physics(2)
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Atomic 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:scopusAnalysis of various quantum mechanical and DFT energy definitions. Application to atomic isoelectronic series
ArticleAbstract: Relations between the quantum mechanical and density functional theory definitions for exchange, excPalabras claves:Correlation energy, density functional theory, Exchange-correlation functionals, Isoelectronic seriesAutores:Eduardo V. Ludeña, Karasiev V.V., Valderrama E.Fuentes:scopusA 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:scopusElectronic-structure kinetic-energy functional based on atomic local-scaling transformations
ArticleAbstract: The electronic-structure calculations of molecules were analyzed using explicit noninteracting kinetPalabras claves:Autores:Artemyev A., Eduardo V. Ludeña, Karasiev V.V.Fuentes:scopusSelf-consistent multiplicative constant method for the exchange energy in density-functional theory
ArticleAbstract: We advance a self-consistent multiplicative constant (SCMC) method based on a local exchange potentiPalabras claves:Autores:Eduardo V. Ludeña, Karasiev V.V.Fuentes:scopusRecents Developments in the Local-Scaling Transformation Version of Density Functional Theory
Book PartAbstract:Palabras claves:Autores:Colle R., Eduardo V. Ludeña, Hinze J., Karasiev V.V., López‐boada R., Maldonado J.E., Pino R., Valderrama E.Fuentes:scopusSCF calculations with density-dependent local-exchange potential
ArticleAbstract: A new model for the exchange potential in the framework of DFT is proposed. The potential is definedPalabras claves:Autores:Eduardo V. Ludeña, Karasiev V.V., López‐boada R.Fuentes:scopus