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Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran

EngineeringPhysicsNatural SciencesNumerical SimulationSpectrum SimulationSpectra-structure CorrelationSpectral AnalysisMathematical ChemistryComputational ChemistryQuantum ChemistryChemistryMolecular FragmentationFormal DerivationMany-body Problem