Ab initio calculations have been performed for F 2 , HCCH, H 2 O, HF, (HF) 2 , and (H 2 O) 2 , comparing certain electron pair correlation methods, or methods for doubly substituted configurations. In these model systems, the reweighting of substituted configurations that occurs beyond a second-orde
The treatment of correlation effects in second-order properties
✍ Scribed by Rodney J. Bartlett; John C. Bellum; Erkki J. Brändas
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 599 KB
- Volume
- 7
- Category
- Article
- ISSN
- 0020-7608
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