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Analysis 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:scopusLocal density calculations of correlation energy for molecular systems
ArticleAbstract: The correlation energy for various diatomic molecules is calculated employing the expressions recentPalabras claves:Autores:López‐boada R., Valderrama E., Yosslen R. ArayFuentes:scopus