A theoretical study of the Ar2HCl van der Waals cluster

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Abstract
A theoretical method for treating the dynamics of polymeric van der Waals clusters is developed, based on an adiabatic separation of the heavy atom motions. The method is applied to the calculation of spectroscopic parameters for the complex Ar2HCl, and the results are compared with experimental data from high‐resolution microwave studies. Potentials based on pairwise additivity and the known Ar–HCl pair potential are used. Small discrepancies between experiment and theory are observed, and it seems likely that these are attributable to the effects of three‐body forces rather than to deficiencies of the pair potentials used. High‐resolution spectroscopy of van der Waals clusters shows great promise as a tool for investigating nonadditive intermolecular forces.