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Can correlation bring electrons closer together?

Pearson, Kenneth; Gill, Peter; Uglade, Jesus; Boyd, Russell


We discuss the exact Coulomb hole for the ground state of the helium atom and helium-like ions. We find that the correlated wavefunction yields a smaller probability of finding the electrons at large separations than does the Hartree-Fock wavefunction, leading to the counterintuitive conclusion that correlation brings distant electrons closer together. This effect becomes less pronounced as the nuclear charge increases.

CollectionsANU Research Publications
Date published: 2009
Type: Journal article
Source: Molecular Physics
DOI: 10.1080/00268970902740563


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