Now that ab initio quantum chemistry is capable of calculating vibrational frequencies ' to an accuracy of a few cm-1 ,, it becomes interesting to examine the magnitude of small contributions. We examine the magnitude of the diagonal Born-Oppenheimer correction on the bondlengths and frequencies of
✦ LIBER ✦
The adiabatic approximation
✍ Scribed by Brink, David ;Sch�tte, Gerhard
- Book ID
- 105188973
- Publisher
- Springer
- Year
- 1983
- Tongue
- English
- Weight
- 656 KB
- Volume
- 310
- Category
- Article
- ISSN
- 1434-601X
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The adiabatic approlrbnation is applied to determine the quantum states of coupled oscillators described by ageneralized H&on-Heiles hamiltonian. Comparison with exact quantum and other results show that numerically calculated adiabatic energy levels are accurate even for excited states.