An IPA procedure for bound-continuum diatomic transition intensities Original Research Article

An inversion procedure for determining a repulsive diatomic molecule potential energy curve and a function of the electronic transition moment operator from structured bound-continuum transition intensity data is proposed. The method is based on the first-order perturbation inversion of node positions differences in an experimental spectrum and its zeroth order simulation. This approach is free from the restrictions of the RKR-like procedure of Child, Essen and Le Roy (J. Chem. Phys. 78 (1983) 6732). The method is tested for the 7Li2 (33Πg(ν = 17, N = 0)) → a3Σu+ and 7Li2(33Σg+(ν = 10, N = 10) → a3Σμ+) model bound-free transitions spectra.