Ground States and Normal Electronic Configurations of Californium I and II
β Scribed by WORDEN, EARL F.; CONWAY, JOHN G.
- Book ID
- 115382513
- Publisher
- Optical Society of America
- Year
- 1970
- Weight
- 504 KB
- Volume
- 60
- Category
- Article
- ISSN
- 0030-3941
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The low-lying electronic states of TiF and TiCl have been studied using high level ab initio techniques. Both are found to have two low-lying excited electronic states, 4 S 0 (0.080 eV (TiF) and 0.236 eV (TiCl)) and 2 D (0.266 eV (TiF) and 0.348 eV (TiCl)), and 4 F ground states at the highest CCSD(
Using a recently modified INDO method the equilibrium intermolecular distance and heats of formation of various types of molecular complexes (CT, HB, CTTS, etc.) have been calculated. The results obtained are in reasonable agreement with available ab initio studies.