Abstract
The nuclear motion problem of the van der Waals molecules ArH 2 and ArD 2 is solved variationally in a basis of coupled spherical harmonics and Morse-type oscillator functions. Near- and far-infrared spectra are computed ab initio from a symmetry-adapted perturbation theory potential calculated earlier. The resulting transition energies are found to agree with experimental data with an error of the order of 0.1 cm −1. This confirms that the potential is accurate.
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