Electron correlation effects on the angular momentum anisotropies of the dipole polarizabilities of the first-row stable atomic anions

被引:0
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作者
Canuto, S
机构
[1] Instituto de Física, Universidade de São Paulo, 05389-970 São Paulo, SP
关键词
D O I
10.1002/(SICI)1097-461X(1997)63:2<459::AID-QUA17>3.0.CO;2-3
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The dipole polarizabilities of B-(P-3) and O-(P-2) 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-L\ = 1,0. A very large influence of the results on electron correlation is found. This influence is larger for the \M-L\ = 1 component. However, whereas for B- no low-order level gives acceptable results, for O- due to cancellation effects, MBPT (4), 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-. For O-, these numbers are 37.7, and 22.2 au, respectively. (C) 1997 John Wiley & Sons, Inc.
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页码:459 / 463
页数:5
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