Spectroscopic constants and potential energy curves of 20 electronic states of SnF arising from valence dissociation limits are computed using the complete active space MCSCF (CASSCF) followed by first-and second-order configuration interaction (FOCI, SOCI) methods, which included up to one million
Spectroscopic Properties and Potential Energy Curves of SnF+
โ Scribed by K. Balasubramanian; H. Xu
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 456 KB
- Volume
- 171
- Category
- Article
- ISSN
- 0022-2852
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Fifteen electronic states of GaCl are investigated using relativistic ab initio complete active space MCSCF (CASSCF) followed by large-scale multi-reference configuration interaction calculations which included up to 1000000 configurations. Potential energy curves and spectroscopic constants of vari
The spectroscopic constants and potential energy curves of the \(\mathrm{PbI}\) diatomic were computed using complete active space SCF (CASSCF) followed by first-order \(\mathrm{Cl}\) ( \(\mathrm{FOCl}\) ) and second-order \(\mathrm{CI}\) (SOCI) calculations which included 607000 configurations. Spi