Radial molecular property functions of CH in its ground electronic state

Effective potential energy curves of the ground electronic states of isotopomers of the methylidyne radical CH are constructed by morphing accurate ab initio potential energy curves within the framework of Jenc's reduced potential energy curve (RPC) approach. The morphing is performed by fitting the RPC parameters to available experimental ro-vibrational data. In turn, the resulting potential energy curves are used to determine the radial property functions describing the spin-orbit and fine and hyperfine energy patterns of the spin-ro-vibrational energy levels by morphing their ab initio approximants or by a direct fitting to experiment. The resulting functions enable reliable predicting outside prospected energy regions, and a quantitative probing of the impacts of external perturbations on the observed spectra. (C) 2021 Elsevier Ltd. All rights reserved.

Automated summary

By morphing accurate ab initio potential energy curves, effective potential energy curves for the ground electronic states of isotopomers of the methylidyne radical CH are constructed. These curves allow reliable prediction of energy regions beyond detection and quantitative probing of the impacts of external perturbations on observed spectra.