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Basis set dependent SCα exchange-only and exchange-correlation calculations
ArticleAbstract: The basis set dependent SCα approximation was applied to the LDA, PW91, and B1x exchange functionalPalabras claves:Autores:Eduardo V. Ludeña, Gonzalez C.A., González I., Hernandez A.J., Karasiev V.V.Fuentes:scopusCoverage effects and the nature of the metal-sulfur bond in S/Au(111): High-resolution photoemission and density-functional studies
ArticleAbstract: Abstract: The bonding of sulfur to surfaces of gold is an important subject in several areas of chemPalabras claves:Autores:Dvorak J., Gonzalez C.A., Hrbek J., Jirsak T., Liu G., Rodríguez J.A., Yosslen R. ArayFuentes:scopusExtended Hückel tight-binding approach to electronic excitations
ArticleAbstract: In this work, we propose the application of a self-consistent extended Hückel tight-binding (EHTB) mPalabras claves:Autores:Almeida R., Gonzalez C.A., Hasmy A., Luis RinconFuentes:googlescopusErratum: Basis set dependent SCα exchange-only and exchange-correlation calculations (J. Chem. Phys. (2003) 118 (8161))
OtherAbstract:Palabras claves:Autores:Eduardo V. Ludeña, Gonzalez C.A., González I., Hernandez A.J., Karasiev V.V.Fuentes:scopusThe σ delocalization in planar boron clusters
ArticleAbstract: The σ delocalization plays an important role in the stability of small boron clusters; therefore, itPalabras claves:Autores:Almeida R., Alvarellos J.E., García-Aldea D., Gonzalez C.A., Hasmy A., Luis RinconFuentes:googlescopusTight Binding Methods for Metallic Systems
Book PartAbstract: The atomistic description of metal systems, which is the central topic of this book, is only possiblPalabras claves:Autores:Allison T.C., Gonzalez C.A., Luis RinconFuentes:scopus