Upon request of experimentalists now engaged in high-resolution spectroscopic investigations of the molecule KRb, we have determined the potential energy of electronic states 2SΟ©1 β³ (Ο©) correlating up to the limit K(5p) Ο© Rb(5s) and of electronic states β (Ο©/Οͺ) correlating up to the limit K(4s) Ο© Rb
Theoretical study of the electronic structure of the BaH molecule
β Scribed by Allouche, A. R.; Nicolas, G.; Barthelat, J. C.; Spiegelmann, F.
- Book ID
- 121763790
- Publisher
- American Institute of Physics
- Year
- 1992
- Tongue
- English
- Weight
- 879 KB
- Volume
- 96
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.462365
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π SIMILAR VOLUMES
We have calculated the electronic states of Rb 2 by multireference configuration interactions using the averaged relativistic effective small-core potential and the core-polarization potential. The potential energy curves for a large number of states dissociating into from 5s + 5s up to 7s + 5s asym
CAS-SCF/MRCI calculations have been performed for 11 molecular states in the representation 2SΓΎ1 K ðþà (neglecting spin-orbit effects) for the molecule LaI. The corresponding 25 molecular states in the representation X ðþ=ΓΓ (including spin-orbit effects) have been calculated using a semi-empirical