The structure and stability of the O2+2 dication: a dramatic failure of Møller—Plesset perturbation theory
✍ Scribed by Ross H. Nobes; David Moncrieff; Ming Wah Wong; Leo Radom; Peter M.W. Gill; John A. Pople
- Book ID
- 107735026
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 684 KB
- Volume
- 182
- Category
- Article
- ISSN
- 0009-2614
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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