Nuclear corrections to molecular properties. VI. Vibrational transition moments in asymmetric-top molecules
- 15 December 1978
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 69 (12) , 5310-5313
- https://doi.org/10.1063/1.436557
Abstract
A general expansion is derived for the transition moment between two nondegenerate vibrational states of a polyatomic molecule. This analysis is combined with ab initio surfaces for the potential energy and the dipole moment of water vapor to predict integrated band absorption intensities. Calculations are compared with experiment for several transitions which originate in the zero‐point vibrational state.Keywords
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