Much work has been devoted in the past to the spectroscopy of transition metal monohalides, essentially because they are of considerable interest in the fields of catalytic chemistry and high-temperature chemistry. In particular, diatomic compounds of group IIIb atoms, Sc, Y, and La, were the best s
Low-lying electronic states of magnesium hydride
β Scribed by Walter J. Balfour; Hugh M. Cartwright
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 460 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0009-2614
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π SIMILAR VOLUMES
The spectroscopic constants for the triplet and singlet states of LiB below about 30000 cm-~ are determined using an intemally contracted multireference configuration-interaction approach. The ground state is 311 as found in previous work. Transitions between the 311 state and the (1)3E-, (2)3II, an
## Relativistic CI calculations on the low-lying states of BiF(O+, 1, 2, O+ (II)) arising from the Q\*P\* configuration are carried out. Comparison calculations of the X-s states without spin-orbit interaction (3Z-, IX+ and 'A) are also presented. These calculations enable the assignment of three
Potential curves for the eight lowest-lying electronic states of Li~ and the two lowest-lying states of Li~ are obtained by valence configuration calculations which utilize an effective core potential. The calculated ionization potential of the ground state of Li 2 is found to be 5.16 eV and its ele