Potential energy surfaces of Mg+N2 and quenching of the 3P and 1P states of Mg. A theoretical ab initio SCF CI study
β Scribed by Patrick Chaquin; Alain Sevin
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 565 KB
- Volume
- 123
- Category
- Article
- ISSN
- 0301-0104
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Using MCSF and CIPSI3 methods the shape of the potential energy surface (PES ) for the title reaction has been computed for the 'A' and 'A" states, locating the stationary points on each surface. The results from these two methods show that the wavefunction for all the stationary points has a strong