An IPA procedure for bound-continuum diatomic transition intensities

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 Li-7(2) (3(3)IIg(nu = 17, N = 0)) --> a(3) Sigma(u)(+)) and Li-7(2) (3(2) Sigma(g)(+)(nu = 10, N = 10) --> a(3) Sigma(u)(+)) model bound-free transitions spectra.