title: Quantifying Electron Correlation of the Chemical Bond.
abstract: The Interacting Quantum Atoms (IQA) method is used to analyze the correlated part of the Møller-Plesset (MP) perturbation theory two-particle density matrix. Such an analysis determines the effects of electron correlation within atoms and between atoms, which covers both bonds and nonbonded through-space atom-atom interactions within a molecule or molecular complex. Electron correlation lowers the energy of the atoms at either end of a bond, but for the bond itself, it can be stabilizing or destabilizing. Bonds are described in a two-dimensional world of exchange and charge transfer, where covalency is not the opposite of ionicity.
authors.affiliation: Manchester Institute of Biotechnology (MIB) , 131 Princess Street, Manchester M1 7DN, Great Britain.|School of Chemistry, University of Manchester , Oxford Road, Manchester M13 9PL, Great Britain.
authors.forename: James L
authors.identifier: http://orcid.org/0000-0002-2323-6898
authors.initials: JL
authors.lastname: McDonagh
authors.affiliation: Manchester Institute of Biotechnology (MIB) , 131 Princess Street, Manchester M1 7DN, Great Britain.|School of Chemistry, University of Manchester , Oxford Road, Manchester M13 9PL, Great Britain.
authors.forename: Arnaldo F
authors.initials: AF
authors.lastname: Silva
authors.affiliation: Manchester Institute of Biotechnology (MIB) , 131 Princess Street, Manchester M1 7DN, Great Britain.|School of Chemistry, University of Manchester , Oxford Road, Manchester M13 9PL, Great Britain.
authors.forename: Mark A
authors.initials: MA
authors.lastname: Vincent
authors.affiliation: Manchester Institute of Biotechnology (MIB) , 131 Princess Street, Manchester M1 7DN, Great Britain.|School of Chemistry, University of Manchester , Oxford Road, Manchester M13 9PL, Great Britain.
authors.forename: Paul L A
authors.identifier: http://orcid.org/0000-0001-9053-1363
authors.initials: PLA
authors.lastname: Popelier