Publication | Open Access
A close-coupling infinite order sudden approximation (IOSA) to study vibrational predissociation of the HeI2 van der Waals molecule
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1986
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Vibronic InteractionEngineeringPhysicsNatural SciencesBending MotionApplied PhysicsPhysical ChemistryClose-coupling FormalismComputational ChemistryMolecular MechanicQuantum ChemistryChemistryVibrational PredissociationMolecular DynamicsSpectra-structure CorrelationAb-initio Method
We apply in this paper a model related to the ‘‘infinite order sudden approximation’’ to treat the vibrational predissociation of the HeI2 van der Waals molecule. For each configuration, the stretching motions within the complex are exactly solved in the close-coupling formalism. The bending motion is then considered in an approximate way and averaged predissociation rates are obtained. Our results are compared with the experiment and also with previous models.
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