Ab initio SCF (self-consistent field) and Cl (configuration interaction) calculations on the 1 'B, and I 'B, states of (BH,)+ have been performed. The geometries, vibrational and rotational constants, as well aa the dissociation energies for optimized equilibrium geometries, are compare-d with DIM (
An accurate calculation of the energy of the lowest bound triplet state of hydrogen
β Scribed by David M. Bishop; Lap M. Cheung
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 277 KB
- Volume
- 79
- Category
- Article
- ISSN
- 0009-2614
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