The use of perturbation methods for the study of the effects of configuration interaction
✍ Scribed by S. Diner; J. P. Malrieu; P. Claverie
- Publisher
- Springer
- Year
- 1967
- Tongue
- English
- Weight
- 828 KB
- Volume
- 8
- Category
- Article
- ISSN
- 1432-2234
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## Abstract A theoretical study of the ground electronic state of N~4~^+^, the dimer ion of N~2~, has shown, in agreement with other studies, that the Møller–Plesset perturbation expansion for open‐shell molecular species is unstable and divergent when used with certain spin‐contaminated UHF refere
A method for the limitation of the extent of the configuration interaction is described, giving results which are practically equal to those obtained by taking into account all contigurations. This approach provides the principal possibility for the most csnct calculation through configuration inter