Mostrando 4 resultados de: 4
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Theoretical Chemistry Accounts(2)
International Journal of Quantum Chemistry(1)
Journal of Physical Chemistry B(1)
Application 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:scopusExact analytic total energy functional for Hooke's atom generated by local-scaling transformations
Conference ObjectAbstract: An analytic closed form for the total energy density functional for Hooke's atom - an artificial twoPalabras claves:DFT, Hooke's atom, Local-scaling transformations, LS-DFTAutores:Eduardo V. Ludeña, Gómez D., Karasiev V.V., Nieto P.Fuentes:scopusExact 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:scopusSHG of ultrathin films of metal porphyrins on BK7 glass in total internal reflection geometry: Theory and experiments
ArticleAbstract: We present a novel methodology that combines a theoretical description and experimental characterizaPalabras claves:Autores:Echevarría L., Gutiérrez H., Manuel Caetano, Mujica V., Nieto P.Fuentes:scopus