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
Applications of many body methods to large molecules
โ Scribed by Gutfreund, H.
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 2007
- Weight
- 590 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0449-2994
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