GENERALIZED CORRELATIONS IN TERMS OF POLARIZABILITY FOR VANDERWAALS INTERACTION POTENTIAL PARAMETER CALCULATIONS

被引:337
作者
CAMBI, R
CAPPELLETTI, D
LIUTI, G
PIRANI, F
机构
[1] Dipartimento di Chimica dell'Università
关键词
D O I
10.1063/1.461035
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
General correlations between van der Waals interaction potential parameters and polarizabilities of the interacting neutral-neutral partners of any nature are presented and discussed. To ensure the full applicability of the correlations, an evaluation of the long-range interaction constants is performed in terms of the Slater-Kirkwood approximation whose numerical coefficients, having the meaning of effective electron numbers, are estimated interpolating the values deduced by theoretical considerations. The values of the long-range constants so obtained are compared satisfactorily with the available experimental ones. The correlations are tested successfully over practically all systems characterized experimentally. Their use to predict the parameters of unknown systems is suggested.
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页码:1852 / 1861
页数:10
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