INTER-NUCLEAR DEPENDENCE OF STATIC POLARIZABILITY IN HYDROGEN HALIDES

被引：13

作者：

GIANTURCO, FA ^{[1
]}

LAMANNA, UT ^{[1
]}

机构：

[1] CNR,QUANTUM CHEM LAB,I-56100 PISA,ITALY

来源：

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS | 1979年 / 12卷 / 17期

关键词：

D O I：

10.1088/0022-3700/12/17/009

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Ab initio calculations of dipole polarisabilities are performed for HF, HCl and HBr molecules at various molecular geometries and within the SCF treatment of the finite-field method. It is found that the increased values of polarisability gradients in going from HF to HBr can easily compensate for the corresponding decrease of permanent dipoles along the same series.

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页码：2789 / 2795

页数：7

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