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Testing the arbitrariness and limits of a pseudopotential technique through calculations on the series of diatoms HF, AlH, HCl, AlF, AlCl, F2, Cl2

Inorganic ChemistryEngineeringPhysicsPhysicochemical AnalysisNatural SciencesPhysical ChemistryDiatoms HfPseudopotential TechniqueComputational ChemistryQuantum ChemistryChemistryAb-initio Method