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INTER-MOLECULAR INTERACTION COEFFICIENTS USING POINT-CHARGE MODELS
被引：5
作者：
YOFFE, JA
机构：
[1] Department of Mathematics, University of Nottingham, University Park, NG7 2RD, Nottingham
来源：
THEORETICA CHIMICA ACTA
|
1979年
/
52卷
/
02期
关键词：
Interaction coefficients;
Point charge models;
D O I：
10.1007/BF00634790
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：
Values of the two-body interaction coefficients C6 and d4 between like species, as well as the three-body term γ3, are obtained from point charge model formulae. Lewis set results may be compared with atomically centered wave-function values as well as results obtained using an experimental point charge model. Generally results are in good agreement with experiment and when theoretical values differ wildly from experiment they may be normalized using theoretical and experimental static polarizability values. © 1979 Springer-Verlag.
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页码：155 / 161
页数：7
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