Materials Science and Engineering B · 2020 · 16 citations · 43 references
Natural SciencesChemistryPhysicsCondensed Matter PhysicsElectronic MaterialsPhysical ChemistryAb Initio MethodsDensity Functional TheoryElectronic Band StructureElectronic StructureElectronic Structure Of SolidsMolecular Orbital TheoryElectronic Property PredictionElectronic Structure Of MoleculesElectronic Structure TheoryFirst-principles Electronic StructureFirst-principles ThermodynamicsQuantum Chemical Property PredictionThermodynamic Analysis
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