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

Citation
H. Hettema et al., INTRAMOLECULAR BOND-LENGTH DEPENDENCE OF THE ANISOTROPIC DISPERSION COEFFICIENTS FOR INTERACTIONS OF RARE-GAS ATOMS WITH N2, CO, CL2, HCL AND HBR, Molecular physics, 80(3), 1993, pp. 533-548
Citations number
58
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
80
Issue
3
Year of publication
1993
Pages
533 - 548
Database
ISI
SICI code
0026-8976(1993)80:3<533:IBDOTA>2.0.ZU;2-X
Abstract
Ab initio many body perturbation theory is used to calculate the imagi nary frequency multipole polarizabilities of N2, Cl2, CO, HCl and HBr as a function of bond length. These are combined with previously calcu lated dynamic polarizabilities for rare gas atoms to obtain the intram olecular bond length dependence of the anisotropic dispersion and indu ction coefficients through R-8 for AB-X (AB = N2, Cl2, CO, HCl, HBr an d X = He, Ne, Ar, Kr, Xe) interactions.