Mostrando 6 resultados de: 6
Filtros aplicados
Subtipo de publicación
Article(6)
Publisher
Journal of Chemical Physics(2)
International Journal of Quantum Chemistry(1)
Journal of Computational Chemistry(1)
Journal of Molecular Structure: THEOCHEM(1)
Theoretical and Computational Chemistry(1)
Área de conocimiento
Química teórica(5)
Optimización matemática(2)
Teoría del funcional de la densidad(2)
Origen
scopus(6)
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: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:scopusLocal‐scaling transformation version of density functional theory
ArticleAbstract: The local‐scaling transformation version of density functional theory (LS‐DFT) is reviewed. It is shPalabras claves:Autores:Eduardo V. Ludeña, Hinze J., Koga T., Kryachko E.S., López‐boada R., Maldonado J.E., 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