The correlation theory of the chemical bond

Abstract The quantum mechanical description of the chemical bond is generally given in terms of delocalized bonding orbitals, or, alternatively, in terms of correlations of occupations of localised orbitals. However, in the latter case, multiorbital correlations were treated only in terms of two-orb...

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Autores principales: Szilárd Szalay, Gergely Barcza, Tibor Szilvási, Libor Veis, Örs Legeza
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2017
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Acceso en línea:https://doaj.org/article/4129f7c11e3a4a54ab02131bb57134d3
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