Theoretical investigation of the molecular structure and transition dipole moments of the NaK+ low lying electronic states
β Scribed by C. Ghanmi; H. Berriche; H. Ben Ouada
- Book ID
- 108185168
- Publisher
- Elsevier Science
- Year
- 2006
- Tongue
- English
- Weight
- 219 KB
- Volume
- 235
- Category
- Article
- ISSN
- 0022-2852
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π SIMILAR VOLUMES
The structures and dipole moments of the four low-lying electronic states (X 211, A \*A, B 'C -and C \*Z ' ) of the linear CCN radical are investigated by ab initio calculations at SDCIlDZP and TZP levels. For all the electronically excited states, the dipole moments are calculated to be z 3.0 D. Ho
Extended MC SCF computations of the CAS SCF type have been performed on four energetically low-lying electronic states of Her?+ dications. The X 'Z + ground state is predicted to be thermodynamically stable by 0.72 eV, while the a 'II and A 'II excited states represent metastable species with barrie
## Abstract The lowβlying electronic states of NiH and NiAt are investigated by using multireference secondβorder perturbation theory with relativistic effects taken into account. The potential energy curves as well as the corresponding spectroscopic constants are reported. The results are grossly