A test for the Wilson—Levy correlation energy functional

doi:10.1016/0009-2614(93)E1422-D

Chemical Physics Letters

Volume 217, Issues 5–6, 28 January 1994, Pages 566-570

https://doi.org/10.1016/0009-2614(93)E1422-D Get rights and content

Abstract

The accuracy of the recently developed correlation energy functional of Wilson and Levy is investigated. The correlation contributions to first ionization potentials of first-row atoms, hydrides and dimers, as well as the contributions to the dissociation energies of neutral and ionic hydrides and dimers are calculated and compared with experimental values. It is found that the functional developed by Wilson and Levy represents a positive step in the way to improve the accuracy of density functional models.

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Citation Excerpt :
It was designed to satisfy scaling conditions, and contains four adjustable parameters that were determined from fits to atomic correlation energies. We note that the performance of the WL functional for covalent interactions has been tested previously by Fuentealba and Savin [12] as a post-HF correction, and by Chermette et al. [13] in a fully self-consistent procedure. The results obtained for both dimers and crystals are reported in Table 1.
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Chemical Physics Letters

A test for the Wilson—Levy correlation energy functional

Abstract

Chem. Phys. Letters

Phys. Rev. Letters

Theoret. Chim. Acta

Testing the combination of Hartree-Fock exchange and Wilson-Levy correlation for weakly bonded extended systems

Second-Order Relations Involving Correlation Energy and its Functional Derivative

Semilocal density functionals for exchange and correlation: Theory and applications

Large coupling-strength expansion of the Møller-Plesset adiabatic connection: From paradigmatic cases to variational expressions for the leading terms

Large coupling-strength expansion of the møller-plesset adiabatic connection: From paradigmatic cases to variational expressions for the leading terms

Nonlocal Wigner-like correlation energy density functional: Parametrization and tests on two-electron systems