Accurate analytic model potentials for D2 and H2 based on the perturbed-Morse–oscillator model

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Abstract
Model potentials with as few as 19 free parameters are fitted to published ab initio abiabatic potentials for D2 and H2, with accuracy such that rovibrational eigenvalues are in error by only about 10−2 cm−1. A three‐parameter model is suggested for describing nonadiabatic effects on eigenvalues, with the intention that such a model might be suitable for all hydrides. Dunham coefficients are calculated from the perturbed‐Morse–oscillator series expansion of the model, permitting a critical evaluation of convergence properties of both the Dunham series and the WKB series.