Franck–Condon factors for molecule–ion reactions of H2H2 and its isotopomers

An existing, systematic, fundamental database of Franck–Condon factors and transition probabilities for all isotopomers of the hydrogen molecule (H2, D2, T2, HD, HT, and DT) has been extended for reactions which connect the molecule with its ion H2+(v) (or the corresponding ion of the specific isotopomer). The most recent Born–Oppenheimer potential curves were used to calculate the vibrational eigenvalues and eigenfunctions, from which the Franck–Condon factors were obtained by convolution. The accuracy of the results has been assessed and a comparison with results available in the literature was performed.