Ab initio CI calculations have been performed for the X \* Z', A \*R, and B' \*Z\* states of MgH, correlating ordy the three valence electrons. This procedure is found to give good agreement with experimental data. In particular, we fmd that the B' state is w&ly bound with re = 4.9 au and exhibits s
Theoretical study on low-lying electronic states of Na 2
β Scribed by Jeung, G
- Book ID
- 121363291
- Publisher
- Institute of Physics
- Year
- 1983
- Tongue
- English
- Weight
- 540 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0022-3700
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π SIMILAR VOLUMES
## 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
The structures and properties of the ground and low-lying excited states of Li2H have been investigated by ab initio calculation. The UMP2-0ptimized geometry of ground-state Li2H is in agreement with experiment. Properties of the excited 2B2 and 2A 2 states have been predicted, based on UMP2-0ptimiz