Test of interaction potentials for rare gas-halide systems Original Research Article

Ab initio, model and empirical potentials for the interaction of rare gas atoms and halide ions are tested by their ability to reproduce gaseous ion transport data. The ab initio potentials are in poor agreement with the data. The model potentials give good agreement with experiment for some systems, moderate agreement for others, and very poor agreement for Br− in Ar, Kr and Xe. The potentials that were directly determined in 1985 from gaseous ion transport data more closely match those data and newer transport data than do any of the potentials proposed subsequently, with the exception of potentials inferred from zero electron kinetic energy spectroscopy.