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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 general justification for hybrid functionals in DFT by means of linear response theory
ArticleAbstract: In the present work, resorting to linear response theory, we examine the plausibility of postulatingPalabras claves:DFT, Görling-Levy PT, hybrid functionals, Kohn-Sham PT, linear response, OEPAutores:Eduardo V. Ludeña, Fernando Javier Torres, Luis RinconFuentes:googlescopusA re-statement of the Hohenberg-Kohn theorem and its extension to finite subspaces
ArticleAbstract: Bearing in mind the insight into the Hohenberg-Kohn theorem for Coulomb systems provided recently byPalabras claves:DFT, Finite subspaces, Hohenberg-Kohn theoremAutores:Boada R.L., Bokanowski O., Eduardo V. Ludeña, Pino R.Fuentes:scopusAtomic SCF loge localized wave functions
ArticleAbstract: We report in this work SCF atomic calculations for Li, Be, B, C, and Ne using a basis set of completPalabras claves:Autores:Eduardo V. LudeñaFuentes:scopusAn approximate universal energy functional in density functional theory
ArticleAbstract: Using Harriman's orthonormal set, a closed expression for the reduced first order density operator γPalabras claves:Autores:Eduardo V. LudeñaFuentes: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:scopusCondensed matter theories
BookAbstract: The orientation and physical context of the CMT Series of Workshops have always been cross-disciplinPalabras claves:Autores:Bishop R., Eduardo V. Ludeña, P. IzaFuentes: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:scopusDensity Matrix Foundations of Density Functional Theory: The Importance of Pure-State N-Representability In the Derivation of Extended Kohn-Sham Equations
ArticleAbstract: Within the context of a density matrix approach based on the 1-matrix, where pure-state N-representaPalabras claves:Autores:Eduardo V. Ludeña, Keller J.Fuentes:scopusDensity functional theory formalism
ArticleAbstract: A derivation and formulation of density functional theory, which eliminates the formal and practicalPalabras claves:Autores:Eduardo V. Ludeña, Keller J.Fuentes:scopus