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Application of molecular models to electronic structure calculations of defects in oxide crystals. I. Parametrization of the modified INDO method

Materials ScienceOxide CrystalsEngineeringCrystalline DefectsNatural SciencesOxide ElectronicsApplied PhysicsIndo MethodI. ParametrizationDefect FormationComputational ChemistryQuantum ChemistryChemistryElectronic StructureCrystallographyAb-initio Method