Journal of Physics Condensed Matter · 1995 · 17 citations · 23 references
Natural SciencesChemistryPhysicsComputational ChemistryPhysical ChemistryTheoretical ChemistryAb Initio MethodsBorn-oppenheimer ApproximationDensity Functional TheoryElectron ConfigurationsInteratomic PotentialsNuclear StructureEffective Nuclear ChargeElectron DensityElectron-electron InteractionsLocal Density ApproximationPseudopotentialsQuadrupole Splitting
Self-consistent Sternheimer antishielding constants for chemical elements with nuclear charge in the range 2-94 are obtained within the framework of the local density approximation. The dependence of the Sternheimer factors on the ion charge states is discussed. These results can be employed for a prediction of the quadrupole splitting parameters on the basis of pseudopotential electron density calculations.
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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
OK Andersen · Physical review. B, Solid state · 1975 · 6.5K citations · Full text
Pseudopotentials that work: From H to Pu
Giovanni B. Bachelet, D. R. Hamann, M. Schlüter · Physical review. B, Condensed matter · 1982 · 3.4K citations
Natural Sciences, Chemistry, Physics +17