Intracule functional models: I. Angle-corrected correlation kernels

Dumont, Elise; Crittenden, Deborah; Gill, Peter

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Intracule functional models: I. Angle-corrected correlation kernels

Date

2007

Authors

Dumont, Elise

Crittenden, Deborah

Gill, Peter

Publisher

Royal Society of Chemistry

Abstract

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.

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http://hdl.handle.net/1885/39900

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ANU Research Publications

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Physical Chemistry Chemical Physics

Type

Journal article

DOI

10.1039/b709513a

Restricted until

2037-12-31

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Intracule functional models: I. Angle-corrected correlation kernels

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