Beyond ro-vibrational separation
- 1 January 1988
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
- Vol. 84 (9) , 1295-1303
- https://doi.org/10.1039/f29888401295
Abstract
Results are presented for nuclear motion calculations on D+ 3, H2D+ and the van der Waals complex ArCO in rotationally excited states. These calculations are performed using a two-step variational procedure which allows large ro-vibrational interactions (Coriolis couplings) to be treated accurately. The difficulty of assigning states in systems such as H2D+ where the Coriolis interactions are large is illustrated and the limitations of effective Hamiltonians derived from perturbation theory discussed.Keywords
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