Mostrando 7 resultados de: 7
Filtros aplicados
Publisher
Journal of Chemical Physics(2)
Journal of Molecular Structure: THEOCHEM(2)
Advances in Quantum Chemistry(1)
Journal of Computational Chemistry(1)
Theoretical and Computational Chemistry(1)
Área de conocimiento
Teoría del funcional de la densidad(3)
Ciencia de materiales(1)
Optimización matemática(1)
Origen
scopus(7)
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: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 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:scopusLocal density calculations of correlation energy for molecular systems
ArticleAbstract: The correlation energy for various diatomic molecules is calculated employing the expressions recentPalabras claves:Autores:López‐boada R., Valderrama E., Yosslen R. ArayFuentes:scopusLocal-scaling transformation version of density functional theory: Application to atoms and diatomic molecules
ArticleAbstract: Applications of the local-scaling transformation version of density functional theory, LS-DFT, to atPalabras claves:Autores:Eduardo V. Ludeña, Karasiev V.V., López‐boada R., Maldonado J.E., Valderrama E.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:scopusThe local-scaling version of density functional theory: A practical method for rigorous calculations of many-electron systems
ArticleAbstract: The local-scaling transformation version of density functional theory is reviewed in the present worPalabras claves:Autores:Eduardo V. Ludeña, Hinze J., Koga T., Kryachko E.S., López‐boada R., Maldonado J.E., Valderrama E.Fuentes:scopus