Msller-Plesset perturbation calculations (MPn) up to fiftieth order, within both the restricted (RHF) and unrestricted Hartree-Fock (UHF) frameworks, have been used to examine the He:+ ground-state potential curve. The bond lengths of the equilibrium and transition structures have been optimized at
On the convergence of the Møller-Plesset perturbation series
✍ Scribed by N. C. Handy; P. J. Knowles; K. Somasundram
- Publisher
- Springer
- Year
- 1985
- Tongue
- English
- Weight
- 560 KB
- Volume
- 68
- Category
- Article
- ISSN
- 1432-2234
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