Chemical Physics · 2006 · 30 citations · 31 references
Natural SciencesChemistryMaterials ScienceElectronic MaterialsPhysical ChemistryTheoretical ChemistryAb Initio MethodsDensity Functional TheoryElectronic Band StructureElectronic EffectsMolecular Orbital TheoryWide Band Gap SemiconductorsBand Gap PredictionCoupled Electron Pair ApproximationElectronic CouplingElectronic State InteractionsElectronic-state CouplingIntervalence Charge TransferLong-range Interaction Potentials
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