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On the N-representability and universality of F[ρ] in the Hohenberg-Kohn-Sham version of density functional theory
Conference ObjectAbstract: We discuss two basic problems in the Hohenberg-Kohn-Sham version of density functional theory, HKS-DPalabras claves:density functional theory, N-representability, universalityAutores:Eduardo V. Ludeña, Illas F., Ramirez-Solis A.Fuentes:scopusOn the activation of molecular hydrogen by gold: A theoretical approximation to the nature of potential active sites
ArticleAbstract: The study of adsorption and dissociation of molecular hydrogen on single crystal Au(111) and Au(001)Palabras claves:Autores:Boronat M., Corma A., Illas F., Silvia González PérezFuentes:googlescopusTheoretical study of the chemisorption of CO on bimetallic RhCu surfaces and nanoparticles
ArticleAbstract: The CO interaction with bimetallic RhCu surface models representing several compositions has been stPalabras claves:alloys, Carbon monoxide, Chemisorption, Density functional calculations, Metallic surfacesAutores:Illas F., Silvia González Pérez, Sousa C.Fuentes:googlescopus