The equilibrium geometries, excitation energies, force constants and vibrational frequencies for the low-lying electronic states X %-, a 'A, A 3n and 1 'II of the CCS molecule have been calculated at the MRSDCI level with a double-zeta plus polarization basis set. Our optimized geometric parameters
Ab initio study of the low-lying electronic states of the CaO molecule
✍ Scribed by Hossain Khalil; Vincent Brites; Frédéric Le Quéré; Céline Léonard
- Book ID
- 108089276
- Publisher
- Elsevier Science
- Year
- 2011
- Tongue
- English
- Weight
- 457 KB
- Volume
- 386
- Category
- Article
- ISSN
- 0301-0104
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