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Advances in Quantum Chemistry(1)
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Journal of Molecular Structure: THEOCHEM(1)
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Calculation of the defect kinetic energy in Kohn-Sham theory by means of local-scaling transformations
ArticleAbstract: The kinetic-energy difference ΔT=T-Ts[ρ0] is calculated for the helium isoelectronic series and forPalabras claves:Autores:Eduardo V. Ludeña, Koga T., Kryachko E.S., López‐boada R., Maldonado J.E.Fuentes:scopusExact exchange-only density functional theory by means of local scaling transformations
ArticleAbstract: The density-constrained variation of the kinetic energy of a non-interacting system carried out withPalabras claves:Autores:Eduardo V. Ludeña, López‐boada R., Maldonado J.E.Fuentes: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 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: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: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