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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Bibliographic Details
Main Authors: Szilárd Szalay, Gergely Barcza, Tibor Szilvási, Libor Veis, Örs Legeza
Format: article
Language:EN
Published: Nature Portfolio 2017
Subjects:
R
Q
Online Access:https://doaj.org/article/4129f7c11e3a4a54ab02131bb57134d3
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