Mostrando 8 resultados de: 8
Filtros aplicados
Publisher
Physical Review A(3)
International Journal of Quantum Chemistry(1)
Journal of Mathematical Chemistry(1)
Physics Reports(1)
The Journal of Chemical Physics(1)
Área temáticas
Química física(7)
Química analítica(2)
Física moderna(1)
Ingeniería y operaciones afines(1)
Química inorgánica(1)
Área de conocimiento
Química teórica(7)
Teoría del funcional de la densidad(3)
Optimización matemática(1)
Origen
scopus(8)
Density functional theory: Foundations reviewed
ReviewAbstract: Guided by the above motto (quotation), we review a broad range of issues lying at the foundations ofPalabras claves:Autores:Eduardo V. Ludeña, Kryachko E.S.Fuentes:scopusCalculation 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:scopusFormulation of N- and v-representable density-functional theory. II. Spin-dependent systems
ArticleAbstract: The local-scaling transformation version of density-functional theory is extended to the case of spiPalabras claves:Autores:Eduardo V. Ludeña, Kryachko E.S.Fuentes:scopusFormulation of N- and υ-representable density functional theory. III: Excited states
ArticleAbstract: The local-scaling transformation version of density functional theory is extended to the treatment oPalabras claves:Autores:Eduardo V. Ludeña, Koga T., Kryachko E.S.Fuentes:scopusMany-electron energy-density-functional theory: Point transformations and one-electron densities
ArticleAbstract: A novel approach to energy-density-functional theory, based on point transformations in coordinate tPalabras claves:Autores:Eduardo V. Ludeña, Kryachko E.S.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: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