DIPOLE-MOMENT AND POLARIZABILITY OF HYDROGEN SELENIDE

被引:2
|
作者
MAROULIS, G
机构
[1] Department of Chemistry, University of Patras, Patras
关键词
D O I
10.1080/00268979200102091
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
We report self-consistent field and many-body perturbation thoery calculations of the electric dipole moment and dipole polarizability of hydrogen selenide. Our best values for the dipole moment, the mean dipole polarizability and the anisotropy of the dipole polarizability are mu(z) = 0.2783 ea0, alphaBAR = 31.06 e2a0(2)E(h)-1 and DELTA-alpha = 1.15 e2a0(2)E(h)-1. The present value of the dipole moment helps to resolve the discrepancy between the available experimental data for this property. A comparison of the available theoretical predictions for H2O, H2S and H2Se shows that mu(z) decreases while both alphaBAR and DELTA-alpha increase with the size of the molecule.
引用
收藏
页码:1303 / 1309
页数:7
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