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Use of the method of diatomics-in-molecules in fitting ab initio potential surfaces:the system HeH+2

EngineeringNatural SciencesSurface AnalysisSurface ScienceApplied PhysicsPhysical ChemistryAb-initio MethodInterfacial StudyComputational ChemistryQuantum ChemistryChemistrySystem Heh+2Surface Reconstruction