Chemical Physics Letters · 1983 · 2.2K citations · 4 references
Natural SciencesChemistryPhysicsComputational ChemistrySolid State PhysicsTheoretical PhysicsAb Initio MethodsDensity Functional TheoryElectronic StructureElectronic Structure Of SolidsHartree-fock TheoryMolecular Orbital TheoryAb Initio CalculationsBond-order PotentialsCharge OrderingMetal-ligand Bond OrderValence Electron Structure
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