Publication | Closed Access
Improved Statistical Exchange Approximation for Inhomogeneous Many-Electron Systems
394
Citations
12
References
1969
Year
EngineeringPhysicsInhomogeneous Many-electron SystemsNatural SciencesApplied PhysicsInhomogeneity CorrectionImproved Exchange ApproximationAtomic PhysicsInteracting Particle SystemPhysical ChemistryComputational ChemistryQuantum ChemistryChemistryElectronic StructureExchange PotentialsAb-initio MethodMany-body Problem
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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