Improved Statistical Exchange Approximation for Inhomogeneous Many-Electron Systems

Frank Herman, J. P. Van Dyke, I. B. Ortenburger

Physical Review Letters · 1969 · 395 citations · 12 references

Concepts

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.

References

12