Ab initio study on low-lying vibrational states and spectroscopic constants of MgNC (X 2Σ+)
✍ Scribed by Keisaku Ishii; Tsuneo Hirano; Umpei Nagashima; Bernhard Weis; Koichi Yamashita
- Book ID
- 113258529
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 731 KB
- Volume
- 305
- Category
- Article
- ISSN
- 0166-1280
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📜 SIMILAR VOLUMES
Energies of the singlet states of the doubly charged nitric oxide cation have been determined experimentally by the technique of double charge transfer, and are compared with previous results of full-valence MC SCF plus first-order CI techniques. The good agreement obtained permits an assignment of
and references therein) to make a detailed calculation of the rovibronic energies in the first excited electronic state, Ã 2 , of the MgNC radical. This calculation is based on ab initio data (supplemented here with points for larger bending displacements from linearity) calculated at the level of M