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Exact 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:scopusStudy of some simple approximations to the non-interacting kinetic energy functional
ArticleAbstract: Within the framework of density functional theory, a study of approximations to the enhancement factPalabras claves:density functional theory, Enhancement factor, Kinetic energy functional, Kohn–Sham formalismAutores:Edison Salazar, Eduardo V. Ludeña, Karasiev V.V., Mauricio Heriberto Cornejo, Pedro F. GuarderasFuentes:scopusThe Kinetic Energy Pauli Enhancement Factor and Its Role in Determining the Shell Structure of Atoms and Molecules
Book PartAbstract: We deal with different representations of the noninteracting kinetic energy functional for the purpoPalabras claves:density functional theory, Enhancement factor, Kinetic energy functional, Kohn–Sham, Pauli functional, Shell structureAutores:Darío E. Arroyo, Edison Salazar, Eduardo V. Ludeña, Jorge VallejoFuentes:scopusThe Liu-Parr power series expansion of the Pauli kinetic energy functional with the incorporation of shell-inducing traits: Atoms
ArticleAbstract: An approximate expression for the Pauli kinetic energy functional Tp is advanced in terms of the LiuPalabras claves:density functional theory, Enhancement factor, Kinetic energy functional, Kohn-Sham, Pauli functionalAutores:Darío E. Arroyo, Edison Salazar, Eduardo V. Ludeña, Karasiev V.V., Mauricio Heriberto CornejoFuentes:scopus