Ab initio SCF c&zulations using the generalized coupling operator method have been p&formed OR the ground and two excited states of methyl radical. Geometries of the ground and one excited state have been optimized. Vertical transition energies have also been calculated.
Ab initio scf and CI study of the ground and excited states of the HN2 radical
โ Scribed by K. Vasudevan; S.D. Peyerimhoff; R.J. Buenker
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 953 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0022-2860
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