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Hartree-Fock calculations in the context of the local-scaling transformation version of density functional theory. Applications to the lithium and beryllium atoms
ArticleAbstract: We advance a reformulation of the Hartree-Fock problem in the context of the local-scaling transformPalabras claves:Beryllium, DFT, Hartree-Fock, Lithium, Local-scaling DFTAutores:Eduardo V. Ludeña, López‐boada R.Fuentes:scopusHartree-Fock energy-density functionals generated by local-scaling transformations: Applications to first-row atoms
ArticleAbstract: We report energy calculations of selected first-row atoms using explicit approximate Hartree-Fock fuPalabras claves:Autores:Eduardo V. Ludeña, Karasiev V.V., López‐boada R., Pino R.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:scopus