ISOTROPIC AND ANISOTROPIC STATIC DIPOLE POLARIZABILITIES OF THE FIRST-ROW STABLE ATOMIC ANIONS

被引:14
|
作者
CANUTO, S
CASTRO, MA
MUKHERJEE, PK
机构
[1] UNIV SAO PAULO, INST FIS, BR-01452990 SAO PAULO, BRAZIL
[2] UNIV FED GOIAS, DEPT FIS, BR-74001970 GOIANIA, GO, BRAZIL
[3] INDIAN ASSOC CULTIVAT SCI, DEPT SPECT, Kolkata 700032, W BENGAL, INDIA
来源
PHYSICAL REVIEW A | 1994年 / 49卷 / 05期
关键词
D O I
10.1103/PhysRevA.49.3515
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
The static dipole polarizabilities of B-, C-, and 0- are studied using the many-body perturbation theory (MBPT) and coupled-cluster methods. The results indicate very large values for the anisotropies and large contributions of the electron correlation, especially of the higher-order single- and triple-excitation effects. At the highest level presently studied [QCISD(T)] the average polarizabilities are 430.5 a.u. (B-), 82.8 a.u. (C-), and 40.2 a.u. (O-) with 40% to 50% coming from electron correlation effects. For F- the QCISD(T) value is 17.5 a.u., 3.4 a.u. below the fourth-order MBPT(4) result. The anisotropies are 339.3 a.u. (B-) and 24.0 a.u. (O-) with about 50% coming from electron correlation effects. An analysis of the correlation contribution to the average and anisotropic polarizabilities of the first-row stable atomic anions is made.
引用
收藏
页码:3515 / 3518
页数:4
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