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(Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers

EngineeringOccupation NumbersPhysicsNatural SciencesSpectra-structure CorrelationPhysical ChemistryComputational ChemistryQuantum ChemistryChemistryPolarizability Density AnalysisElectronic StructureNatural OrbitalsAb-initio Method