VIBRATIONAL EFFECTS FOR THE DISPERSION-ENERGY AND DISPERSION-POLARIZABILITY COEFFICIENTS FOR INTERACTIONS BETWEEN H, HE, AND H2

被引:16
作者
BISHOP, DM
PIPIN, J
机构
[1] Department of Chemistry, University of Ottawa, Ottawa
关键词
D O I
10.1063/1.465057
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
The effects of zero-point and ''pure'' vibration on the dispersion-energy and the dispersion-polarizability coefficients for interactions between H and H-2, He and H-2, and H-2 and H-2, are investigated. It is found that calculations of these coefficients which use the vibrationally averaged internuclear separation for H-2, differ from the properly vibrationally averaged values by the order of one percent. So-called pure vibrational contributions are found to be negligible.
引用
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页码:522 / 524
页数:3
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