Physical Review Letters · 1969 · 395 citations · 12 references
Natural SciencesChemistryPhysicsComputational ChemistryQuantum ChemistryTheoretical ChemistryAb Initio MethodsApproximation MethodsElectron CorrelationElectronic StructureExchange InteractionsHartree-fock TheoryAtomic Hartree-fockAtomic Structure CalculationsExchange-correlation FunctionalsHartree-fock ApproximationHartree-fock EnergyHartree-fock ModelSpatial Inhomogeneity
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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Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
A Simplification of the Hartree-Fock Method
J. C. Slater · Physical Review · 1951 · 4.5K citations
Frank Herman, Sherwood Skillman, JOHN ARENTS · Journal of The Electrochemical Society · 1964 · 4K citations
The Thomas-Fermi approximation in quantum mechanics
N. H. March · Advances In Physics · 1957 · 460 citations