Explicit introduction of the Born-Oppenheimer κ in expansions of the vibration-rotation Hamiltonian
✍ Scribed by Thorvald Pedersen
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 111 KB
- Volume
- 80
- Category
- Article
- ISSN
- 0022-2852
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📜 SIMILAR VOLUMES
has been used to determine effective bending potentials and reduced masses for C 3 in the lowest stretching vibrational states by performing a Born-Oppenheimer separation of the bending and stretching motions. These calculations were based on a potential energy function obtained in a least-squares f
The stretching vibration-rotation Hamiltonian of tetrahedral molecules is derived in the local-mode model. The result shows that the effective rotational Hamiltonian of a local-mode state gives rise to symmetric-top rotational energy levels, which are quantitatively in good agreement with experiment