Intramolecular bond length dependence of the anisotropic dispersion coefficients for interactions of rare gas atoms with N2, CO, Cl2, HCl and HBr

Abstract

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.