Improved Statistical Exchange Approximation for Inhomogeneous Many-Electron Systems

Frank Herman, John P. Van Dyke, and Irene B. Ortenburger

Phys. Rev. Lett. 22, 807 – Published 21 April 1969

Abstract 

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.

• Received 17 March 1969

DOI:https://doi.org/10.1103/PhysRevLett.22.807

©1969 American Physical Society

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