At the correlation-consistent polarized-valence quadruple-zeta complete active space self-consistent field second-order configuration interaction level of ab initio theory (cc-pVQZ CASSCF-SOCI), we calculated 129 points on the ground electronic state potential energy surface of the water dication H(
Nonempirical calculation of the potential energy surface for the O2−−H2O system
✍ Scribed by V. V. Smolinskii; S. A. Shchekatolina
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1992
- Tongue
- English
- Weight
- 252 KB
- Volume
- 33
- Category
- Article
- ISSN
- 0022-4766
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