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Journal of Computational Chemistry(1)
Journal of Molecular Structure: THEOCHEM(1)
Physical Review A - Atomic, Molecular, and Optical Physics(1)
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scopus(3)
A DFT variational approach to Hooke's atom based on local-scaling transformations
Conference ObjectAbstract: The local-scaling transformation version of density functional theory, LS-DFT, is employed in orderPalabras claves:density functional theory, Hooke's atom, Local-scaling transformationsAutores:Artemyev A., Eduardo V. Ludeña, Karasiev V.V.Fuentes:scopusA Finite B-Spline Basis Set for Accurate Diatomic Molecule Calculations
ArticleAbstract: A finite basis set particularly adapted for solving the Hartree-Fock equation for diatomic moleculesPalabras claves:B-spline basis set, Diatomic molecule calculationsAutores:Artemyev A., Eduardo V. Ludeña, Hernandez A.J., Karasiev V.V.Fuentes:scopusElectronic-structure kinetic-energy functional based on atomic local-scaling transformations
ArticleAbstract: The electronic-structure calculations of molecules were analyzed using explicit noninteracting kinetPalabras claves:Autores:Artemyev A., Eduardo V. Ludeña, Karasiev V.V.Fuentes:scopus