We report primitive semiclassical rotation-vibrational energy levels for a triatomic molecule, H20, with inclusion of all three vibrational degrees of freedom. Both the Lai-Hagstrom and Hoy-Bunker potential surfaces are used. Vibrational and rotational actions are calculated usinn the fast Fourier t
Self-consistent internal axes for a rotating-vibrating triatomic molecule
✍ Scribed by Makarewicz, Jan; Łodyga, Wiesłlaw
- Book ID
- 111952718
- Publisher
- Taylor and Francis Group
- Year
- 1988
- Tongue
- English
- Weight
- 1010 KB
- Volume
- 64
- Category
- Article
- ISSN
- 0026-8976
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📜 SIMILAR VOLUMES
The present paper reports the derivation of a new theoretical model describing the rotation and vibration of a triatomic molecule. The new method is based on the MORBID (Morse Oscillatory Rigid Bender Internal Dynamics) method (P. Jensen, J. Mol. Spectross: 128, 478-501 (1988): P. Jensen. J. (hcm. S
Motivated by attempts to answer the questions (i) if the same order of magnitude is really appropriate for the torsional angular momentum terms P ␥ 2 and the rotational angular momentum term P 2 (or P a 2), (ii) how to systematically analyze various higher order interaction effects, especially the t