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A family of intracules, a conjecture and the electron correlation problem

Gill, Peter; Crittenden, Deborah; O'Neill, Darragh P; Besley, Nicholas

Description

We present a radical approach to the calculation of electron correlation energies. Unlike conventional methods based on Hartree-Fock or density functional theory, it is based on the two-electron phase-space information in the Omega intracule, a three-dimensional function derived from the Wigner distribution. Our formula for the correlation energy is isomorphic to the Hartree-Fock energy expression but requires a new type of four-index integral. Preliminary results, obtained using a model that...[Show more]

CollectionsANU Research Publications
Date published: 2006
Type: Journal article
URI: http://hdl.handle.net/1885/83156
Source: Physical Chemistry Chemical Physics
DOI: 10.1039/b511472a

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