Publication | Closed Access
A METHOD OF DETERMINING THE ELECTRONIC TRANSITION MOMENT FOR DIATOMIC MOLECULES
295
Citations
3
References
1954
Year
Excited State PropertyVibronic InteractionEngineeringPhysicsInternuclear DistanceNatural SciencesApplied PhysicsAtomic PhysicsPhysical ChemistryElectronic Transition MomentComputational ChemistryQuantum ChemistryChemistryElectronic Excited StateElectronic StructureSpectra-structure CorrelationAb-initio MethodOverlap Integrals
A method is described that will give the variation, as a function of internuclear distance, of the electronic transition moment governing intensities in diatomic molecular band systems. Reliable theoretical results and good experimental intensities are used conjointly to find this variation. Once smoothed, the trend may be replaced into the overlap integrals to give relative vibrational transition probabilities better than those given by the approximation ‘overlap integrals squared’, and presumably better than those deduced directly from experiment, since the latter are not smoothed. Limits on the application of the method are suggested; however many band systems fall within these limits.
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