Collision and transport properties of Rg+Cl(P-2) and Rg+Cl-(S-1) (Rg=Ar, Kr) from ab initio potentials

Highly accurate ab initio coupled cluster theory calculations, with single, double and noniterative triple excitations [CCSD(T)], and with the extende d basis set augmented by the bond functions, were performed for the interac tions of chlorine atom and chloride anion with Ar and Kr. Analytical fits t o the ab initio points were shown to provide the consistent and reliable se t of multiproperty potentials capable of reproducing all the available expe rimental data, namely: Total cross sections for Rg+Cl, reduced mobilities a nd diffusion coefficients for Rg+Cl-, as well as the data of spectroscopic zero electron kinetic energy experiments [see Buchachenko , J. Chem. Phys. 114, 9929 (2001), following paper]. The relative accuracy of available inte raction potentials is discussed. (C) 2001 American Institute of Physics.