The correlation effects at a local level. CI partitions
โ Scribed by A. Largo-Cabrerizo; J. Largo-Cabrerizo
- Publisher
- John Wiley and Sons
- Year
- 1986
- Tongue
- English
- Weight
- 331 KB
- Volume
- 30
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
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Ab initio calculations have been performed in order to investigate the counterpoise corrections, especially at the correlated level for molecular interactions. It is pointed out that, when using a localized representation, the calculations using the MBPT/MPB method can be simplified. The H,O + H,O s