ADAS tools for collisional–radiative modelling of molecules

Abstract New theoretical and computational tools for molecular collisional–radiative models are presented. An application to the hydrogen molecule system has been made. At the same time, a structured database has been created where fundamental cross sections and rates for individual processes as well as derived data (effective coefficients) are stored. Relative populations for the vibrational states of the ground electronic state of H 2 are presented and this vibronic resolution model is compared electronic resolution where vibronic transitions are summed over vibrational sub-states. Some new reaction rates are calculated by means of the impact parameter approximation. Computational tools have been developed to automate process and simplify the data assembly. Effective (collisional–radiative) rate coefficients versus temperature and density are presented.