The ground state as well as some low-lying excited states of the Ne q molecule are 2 calculated by means of the third-order multireference many-body perturbation theory with the ''full'' eight-orbital valence space using DZP and polarized valence TZ basis sets. The problem encountered with a large n
A multireference many-body perturbation theory study of Be + H2 → BeH2
✍ Scribed by Yoon S. Lee; Rodney J. Bartlett
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 472 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0020-7608
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