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A general multiconfiguration paired excitation self-consistent field theory (MC PE SCF)
ArticleAbstract: A multiconfigurational paired excitation SCF (MC PE SCF) framework is described, in an attempt to gePalabras claves:Autores:Hernández J.A., Ramón Carbö-D̈orcaFuentes:scopusMulticentric expansions for isosceles H<inf>3</inf><sup>++</sup> configurations
ArticleAbstract: Three, four, and ten center expansions, using Gaussian orbitals have been used to study the isoscelePalabras claves:Autores:Hernández J.A., Ramón Carbö-D̈orcaFuentes:scopusUnconditional convergence in SCF theory: a general level shift technique
ArticleAbstract: A level shift procedure is described in the framework of one-operator SCF formalisms. This procedurePalabras claves:Autores:Hernández J.A., Ramón Carbö-D̈orca, Sanz F.Fuentes:scopusTheoretical interstellar and prebiotic organic chemistry: A tentative methodology
ArticleAbstract: A theoretical methodology for the systematic study of the interstellar molecules is proposed. Some ePalabras claves:Autores:Caballol R., Gallifa R., Hernández J.A., Martín M., Ramón Carbö-D̈orca, Riera J.M.Fuentes:scopus