QUADRUPOLE POLARIZABILITIES OF F-, CL-, AND BR- USING XI-A THEORY

被引：1
|
作者：
LATA, NM
SEN, KD
机构：
[1] School of Chemistry, University of Hyderabad
来源：
PHYSICAL REVIEW A | 1990年 / 42卷 / 05期
关键词：
D O I：
10.1103/PhysRevA.42.3115
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
Quadrupole polarizabilities q have been calculated using a wave functions and the Sternheimer charge-perturbed differential equation procedure for F-, Cl-, and Br-, respectively. It is shown that self-interaction correction with the proper choice of the exchange parameter, aKLI (KLI is Kulback-Leibler information measure), the calculated q values are close to the corresponding Hartree-Fock estimates. © 1990 The American Physical Society.
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页码：3115 / 3116
页数：2
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