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Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions

Quantum DynamicEngineeringPhysicsBasis SetsNatural SciencesAtomic Natural OrbitalAtomic PhysicsSpectra-structure CorrelationComputational ChemistryQuantum ChemistryMolecular Wave FunctionsElectronic StructureBiophysicsAb-initio MethodMany-body Problem