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The sensitivity of B3LYP atomization energies to the basis set and a comparison of basis set requirements for CCSD(T) and B3LYP

EngineeringPhysicsB3lyp Atomization EnergiesNatural SciencesBasis Set RequirementsAtomic PhysicsPhysical ChemistryComputational ChemistryChemistryQuantum ChemistryBasis SetElectronic StructureAb-initio Method