✦ LIBER ✦
Theoretical line list of D2 16O up to 16,000 cm−1 with an accuracy close to experimental
✍ Scribed by Sergei V. Shirin; Nikolay F. Zobov; Oleg L. Polyansky
- Publisher
- Elsevier Science
- Year
- 2008
- Tongue
- English
- Weight
- 134 KB
- Volume
- 109
- Category
- Article
- ISSN
- 0022-4073
No coin nor oath required. For personal study only.
✦ Synopsis
A line list for D 2 16 O isotopologue of water molecule was calculated in the region 0-16,000 cm À1 with energy levels up to J ¼ 30. Variational calculations are based on the semi-theoretical potential energy surface obtained by morphing ab initio potential using the experimental energy levels of D 2 16 O. For energy levels with J ¼ 0, 2, 5 and 10, the standard deviation of the fit is 0.023 cm À1 . This line list should make an excellent starting point for spectroscopic modeling and analysis of D 2 O rovibrational spectra.