ABINITIO STATIC POLARIZABILITIES AND MULTIPOLE MOMENTS OF I2

被引：16

作者：

MAROULIS, G ^{[1
]}

THAKKAR, AJ ^{[1
]}

机构：

[1] UNIV PATRAS,DEPT CHEM,GR-26110 PATRAS,GREECE

来源：

MOLECULAR PHYSICS | 1991年 / 73卷 / 06期

基金：

加拿大自然科学与工程研究理事会;

关键词：

D O I：

10.1080/00268979100101891

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：

Ab initio calculations incorporating the effects of electron correlation are reported for the quadrupole and hexadecapole moments, and the static dipole polarizability of I2. The calculations are based on finite-field, fourth-order, many-body perturbation theory. Coupled self-consistent-field calculations of the dependence of these properties on the bond length, and of some higher static polarizabilities are also reported. A small discrepancy is found between our calculated dipole polarizability anisotropy and a value measured by laser assisted molecular beam spectroscopy.

引用

页码：1235 / 1240

页数：6

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