Potential energy curves of (NaRb) + are investigated by an ab initio one-electron approach. The inner electrons are modelled by non-empirical relativistic pseudopotentials. The core polarization potential is included and the deviation of the core-core interaction from I/R has been corrected. The spe
Improved direct diabatization and coupled potential energy surfaces for the photodissociation of ammonia
β Scribed by Zhen Hua Li; Rosendo Valero; Donald G. Truhlar
- Publisher
- Springer
- Year
- 2007
- Tongue
- English
- Weight
- 537 KB
- Volume
- 118
- Category
- Article
- ISSN
- 1432-2234
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