A theoretical description of the lowest lying electronic states of the BeH2+ dication
β Scribed by F.R. Ornellas; F.B.C. Machado
- Book ID
- 113257838
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 539 KB
- Volume
- 282
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
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
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