Full-dimensional quantum studies of vibrational energy transfer dynamics between H<sub>2</sub>O and Ar: theory assessing experiment
Dongzheng Yang, Lu Liu, Daiqian Xie, Hua Guo
Abstract
O are in good agreement with experimental values, while those for the bending overtone state are approximately five times smaller than the values extracted through a previous kinetic modeling of fluorescence decay data. Our state-specific quantum scattering results suggest the need to reassess the kinetic modeling of the experimental data. This work advanced our understanding of the quantum dynamics of vibrationally inelastic energy transfer processes involving polyatomic molecules.
Topics & Concepts
OvertoneKinetic energyAtomic physicsInelastic scatteringQuantumChemistryWork (physics)Quantum dynamicsPolyatomic ionPotential energy surfaceVibrational energy relaxationScatteringOvertone bandRelaxation (psychology)MoleculePhysicsExcited stateThermodynamicsQuantum mechanicsSpectral lineSocial psychologyPsychologyOrganic chemistrySpectroscopy and Quantum Chemical StudiesSpectroscopy and Laser ApplicationsAdvanced Chemical Physics Studies