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A 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:scopusAsymptotically adjusted self-consistent multiplicative parameter exchange-energy-functional method: Application to diatomic molecules
ArticleAbstract: An asymptotically adjusted self-consistent [Formula Presented] [Formula Presented] method is advancePalabras claves:Autores:Eduardo V. Ludeña, Karasiev V.V.Fuentes:scopusAnalysis of various quantum mechanical and DFT energy definitions. Application to atomic isoelectronic series
ArticleAbstract: Relations between the quantum mechanical and density functional theory definitions for exchange, excPalabras claves:Correlation energy, density functional theory, Exchange-correlation functionals, Isoelectronic seriesAutores:Eduardo V. Ludeña, Karasiev V.V., Valderrama E.Fuentes:scopusApplication of exact analytic total energy functional for Hooke's atom to He, Li<sup>+</sup> and Be<sup>++</sup>: An examination of the universality of the energy functional in DFT
ArticleAbstract: We employ the recently generated energy density functional for Hooke's atom [Ludeña EV et al (2004)Palabras claves:Autores:Eduardo V. Ludeña, Gómez D., Karasiev V.V., Nieto P.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:scopusHigh-efficiency stimulated Raman scattering from alcohols: Theory and experiments
ArticleAbstract: The coherent Raman emission from primary alcohols [CH3(CH 2)NOH, n = 0-10], 2-propyl alcohol and terPalabras claves:Primary alcohols, Stimulated Raman ScatteringAutores:Echevarría L., Karasiev V.V., Luis G. Rodríguez, Marcano O.A., Piscitelli V.Fuentes:googlescopusExact and approximate forms of the kinetic energy functional T <inf>s</inf>[ρ] for molecules obtained via local-scaling transformations
Conference ObjectAbstract: By means of a constructive procedure based on local-scaling transformations, we have obtained the foPalabras claves:DFT, Kinetic energy functional, Local-scaling transformationsAutores:Eduardo V. Ludeña, Karasiev V.V., Nieto P.Fuentes:scopusRealizations of the noninteracting kinetic energy functional enhancement factor through local-scaling transformations: Atoms
Conference ObjectAbstract: Within the framework of the local-scaling version of density functional theory, we deal with the proPalabras claves:density functional theory, Local-scaling transformations, Noninteracting kinetic energy functional, Slater-type orbitalsAutores:Echevarría L., Eduardo V. Ludeña, Karasiev V.V.Fuentes:scopusRelativistic dirac-fock exchange and breit interaction energy functionals based on the local-density approximation and the self-consistent multiplicative constant method
ArticleAbstract: The relativistic extension of the self-consistent αmethod and the AASCα functionals for the CoulombPalabras claves:Autores:Eduardo V. Ludeña, Karasiev V.V., Shukruto O.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:scopus