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We have developed an improved exchange approximation for use in self-consistent atomic structure calculations and related problems. By adding an inhomogeneity correction to the Kohn-Sham-Gaspar exchange potential, we are able to obtain total energies for atoms that are consistently closer to the Hartree-Fock values than are those given by other recently proposed exchange potentials.
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Frank Herman
J. P. Van Dyke
I. B. Ortenburger
Physical Review Letters
Science Research Laboratory
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Herman et al. (Mon,) studied this question.
www.synapsesocial.com/papers/6a09ea83e5a55b25c05148d1 — DOI: https://doi.org/10.1103/physrevlett.22.807
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