FREQUENCY-DEPENDENT POLARIZABILITIES OF O-2 AND VAN-DER-WAALS COEFFICIENTS OF DIMERS CONTAINING O-2

被引:46
作者
HETTEMA, H
WORMER, PES
JORGENSEN, P
JENSEN, HJA
HELGAKER, T
机构
[1] UNIV AARHUS,DEPT CHEM,DK-8200 AARHUS C,DENMARK
[2] ODENSE UNIV,DEPT CHEM,DK-5230 ODENSE M,DENMARK
[3] UNIV OSLO,DEPT CHEM,N-0315 OSLO 3,NORWAY
关键词
D O I
10.1063/1.467256
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 frequency-dependent dipole and quadrupole polarizabilities of the oxygen molecule in its (3) Sigma(g)(-) ground state. These properties are obtained by means of the multiconfiguration self-consistent field method and used for the computation of the van der Waals coefficients of (O-2)(2) and the O-2-Rg dimers, where Rg is He, Ne, Ar, and Kr. The required frequency-dependent polarizabilities of the rare gases were computed earlier by means of second-order many body perturbation theory.
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页码:1297 / 1302
页数:6
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