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Simplification of the molecular vibration-rotation hamiltonian
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1968
Year
Spectral TheoryVibronic InteractionHamiltonian TheoryEngineeringPhysicsNatural SciencesMolecular Vibration-rotation HamiltonianSpectra-structure CorrelationComputational ChemistryQuantum ChemistryNormal CoordinatesHamiltonian Systemμαβ TensorCommutation RelationsBiophysics
By use of the commutation relations and sum rules, the Darling-Dennison vibration-rotation hamiltonian for a non-linear molecule is rearranged to the form: The order of the factors in the first term is immaterial, on account of the relation: A simple expansion is given for the μαβ tensor in terms of the normal coordinates.
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