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Direct force calculation in the Xα method and its application to chemisorption of an oxygen atom on the Al(111) surface

Xα MethodSurface CharacterizationDirect Force CalculationEngineeringSurface ChemistryNatural SciencesSurface AnalysisSurface ScienceApplied PhysicsChemisorptionInterfacial PhenomenaComputational ChemistryQuantum ChemistryChemistrySurface ReactivityOxygen Atom