A theoretical study of the low-lying electronic states of OIO and the ground states of IOO and OIO −
✍ Scribed by Peterson, Kirk A.
- Book ID
- 118116207
- Publisher
- Taylor and Francis Group
- Year
- 2010
- Tongue
- English
- Weight
- 641 KB
- Volume
- 108
- Category
- Article
- ISSN
- 0026-8976
No coin nor oath required. For personal study only.
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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
## Abstract The low‐lying electronic states of NiH and NiAt are investigated by using multireference second‐order 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