A new method for the rapid computation of the spectroscopic constants of atom–linear-molecule van der Waals molecules is presented. The method is based on the adiabatic separation of angular and radial motions within the complex and is analogous to the infinite order sudden approximation in scattering theory. The results based on a model potential for Ar·CO2 are presented.
A. M. Hough and B. J. Howard, J. Chem. Soc., Faraday Trans. 2, 1987, 83, 173 DOI: 10.1039/F29878300173
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