INTRAMOLECULAR BOND-LENGTH DEPENDENCE OF THE ANISOTROPIC DISPERSION COEFFICIENTS FOR INTERACTIONS OF RARE-GAS ATOMS WITH N2, CO, CL2, HCL AND HBR

被引：74

作者：

HETTEMA, H ^{[1
]}

WORMER, PES ^{[1
]}

THAKKAR, AJ ^{[1
]}

机构：

[1] UNIV NEW BRUNSWICK, DEPT CHEM, FREDERICTON E3B 6E2, NB, CANADA

来源：

MOLECULAR PHYSICS | 1993年 / 80卷 / 03期

关键词：

D O I：

10.1080/00268979300102451

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：

Ab initio many body perturbation theory is used to calculate the imaginary frequency multipole polarizabilities of N2, Cl2, CO, HCl and HBr as a function of bond length. These are combined with previously calculated dynamic polarizabilities for rare gas atoms to obtain the intramolecular bond length dependence of the anisotropic dispersion and induction coefficients through R-8 for AB-X (AB = N2, Cl2, CO, HCl, HBr and X = He, Ne, Ar, Kr, Xe) interactions.

引用

页码：533 / 548

页数：16

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