Physical Review Fluids · 2020 · 29 citations · 39 references
Natural SciencesChemistryPhysicsComputational ChemistryMolecular PhysicsTheoretical ChemistryAb Initio MethodsMolecular DynamicsMolecular Excited StatesMolecular SimulationMolecular VibrationRelaxation MethodsCarbon DioxideCarbon Dioxide DynamicsComputational Vibrational SpectroscopyVibrational RelaxationVibrational Spectroscopy SimulationsVibrational Wavefunctions
Carbon dioxide is a key species for many fundamental and applied problems. Using state-resolved models gives a deep insight into the physics of vibrationally excited states, but at the same time, it is computationally very expensive. A study examines the routes to simplify the simulation of CO${}_{2}$ vibrational relaxation by revelation of main vibrational relaxation channels and by using the reduced-order (multitemperature) models
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Infra-Red and Raman Spectra of Polyatomic Molecules
H. W. Thompson · Nature · 1946 · 1.3K citations · Full text
Natural Sciences, Chemistry, Physics +14