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Intracule functional models: I. Angle-corrected correlation kernels

Dumont, Elise; Crittenden, Deborah; Gill, Peter

Description

We explore the merits of applying a simple angle-dependent correction to the correlation kernel within the framework of Hartree-Fock-Wigner theory. Based on numerical results for the first eighteen atoms, we conclude that such a correction offers a significant improvement over the action kernel that we and others have explored previously.

CollectionsANU Research Publications
Date published: 2007
Type: Journal article
URI: http://hdl.handle.net/1885/39900
Source: Physical Chemistry Chemical Physics
DOI: 10.1039/b709513a

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