Electron correlation effects on the angular momentum anisotropies of the dipole polarizabilities of the first-row stable atomic anions
✍ Scribed by Sylvio Canuto
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 134 KB
- Volume
- 63
- Category
- Article
- ISSN
- 0020-7608
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✦ Synopsis
The dipole polarizabilities of B P and O P are calculated using large basis sets and inclusion of high-order electron correlation effects. Special attention is given to the anisotropies derived from the different components of the orbital angular < < momentum M s 1, 0. A very large influence of the results on electron correlation is L < < y found. This influence is larger for the M s 1 component. However, whereas for B no L y Ž . low-order level gives acceptable results, for O due to cancellation effects, MBPT 4 , Ž . w Ž .x and even MBPT 2 , approximate the highest-level CCSD T result. Our best results are 463.1 and 400.3 au for the average and anisotropic polarizabilities of B y . For O y , these numbers are 37.7, and 22.2 au, respectively.