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Semiclassical rotation-vibration energies for a triatomic molecule: H2O

✍ Scribed by Bobby G. Sumpter; Gregory S. Ezra

Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
424 KB
Volume
142
Category
Article
ISSN
0009-2614

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✦ Synopsis

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 transform Sorbie-Handy method. Overall, encouraging agreement with the quantum variational results of Chen, Maessen, and Wolfsberg is found.

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