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
相关论文
共 103 条
[41]   INTERMOLECULAR FORCES VIA HYBRID HARTREE-FOCK SCF PLUS DAMPED DISPERSION (HFD) ENERGY CALCULATIONS - AN IMPROVED SPHERICAL MODEL [J].
DOUKETIS, C ;
SCOLES, G ;
MARCHETTI, S ;
ZEN, M ;
THAKKAR, AJ .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (06) :3057-3063
[42]   DETERMINATION OF NA-AR GROUND-STATE POTENTIAL FROM DIFFERENTIAL CROSS-SECTION MEASUREMENTS [J].
DUREN, R ;
GROGER, W .
CHEMICAL PHYSICS LETTERS, 1978, 56 (01) :67-70
[43]   ACCURATE FITTING OF INTERATOMIC POTENTIAL FROM SCATTERING - ALKALI-RARE GAS SYSTEMS [J].
DUREN, R ;
RAABE, GP ;
SCHLIER, C .
ZEITSCHRIFT FUR PHYSIK, 1968, 214 (04) :410-&
[44]   POTENTIAL CHARACTERISTICS OF THE MERCURY METHANE VANDERWAALS COMPLEX [J].
DUVAL, MC ;
SOEP, B .
CHEMICAL PHYSICS LETTERS, 1987, 141 (03) :225-231
[45]   SCATTERING EXPERIMENTS WITH HYDROGEN-ATOMS .1. DIFFERENTIAL COLLISION CROSS-SECTIONS FOR H + AR, D + AR AND H + CH4 [J].
ESTE, GO ;
KNIGHT, G ;
SCOLES, G .
CHEMICAL PHYSICS, 1978, 35 (03) :421-427
[46]   NUCLEAR MAGNETIC-RELAXATION IN HYDROGEN RARE GAS-MIXTURES [J].
FOSTER, KR ;
RUGHEIME.JH .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (06) :2632-&
[47]   ELECTRONIC-SPECTRA OF VANDERWAALS MOLECULES HGNE, HGAR, AND HGKR IN A SUPERSONIC JET [J].
FUKE, K ;
SAITO, T ;
KAYA, K .
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (06) :2591-2598
[48]   SPECTROSCOPIC CHARACTERIZATION OF THE LOWEST SINGLET-STATES OF CDNE, CDAR, AND CDKR [J].
FUNK, DJ ;
KVARAN, A ;
BRECKENRIDGE, WH .
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (06) :2915-2926
[49]   HALF-COLLISION DYNAMICS - EXCLUSIVE PRODUCTION OF CD(5S5-RHO-3P2) FROM THE PREDISSOCIATION OF CD(5S5-RHO-1P1).XE ELECTRONIC STATES [J].
FUNK, DJ ;
BRECKENRIDGE, WH .
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (06) :2927-2934
[50]  
Gilbert RG, 1990, THEORY UNIMOLECULAR