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Phys Chem Chem Phys. 2007 Oct 21;9(39):5340-3. Epub 2007 Aug 13.

Intracule functional models: I. Angle-corrected correlation kernels.

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  • 1Research School of Chemistry, Australian National University, ACT 0200, Australia.

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.

PMID:
17914470
DOI:
10.1039/b709513a
[PubMed]
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