A note on the accuracy of correlation energy estimation by local approximation: first ionization energies and electron affinities of light atoms |
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| Affiliation: | Department of Chemistry, University of North Carolina, Chapel Hill, NC 27514, USA;Department of Theoretical Chemistry, University of Sydney, Sydney, N.S.W. 2006, Australia |
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| Abstract: | A local spin density functional estimate of the pure correlation energy is added to Hartree-Fock values for the ionization energy and electron affinity of the first eighteen atoms. The local correlation estimate is found to yield a useful improvement in accuracy which augurs well for the application of the same method to molecules. |
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