The Ar-HCl potential energy surface from a global map-facilitated inversion of state-to-state rotationally resolved differential scattering cross sections and rovibrational spectral data

A new, map-facilitated nonlinear inversion algorithm was used to extract a global Ar-HCl interaction potential from the rotationally resolved differential cross sections of Lorentz et al. as well as the accumulated rovibrational spectral data. During its search, the map-facilitated inversion optimization investigated >5×10⁶ trial surfaces. Once the map was learned over its, relatively expansive domain, many different inversions could be performed without any additional close-coupled calculations.