Quantum reactive scattering calculations of Franck-Condon factors for the photodetachment of H2F- and D2F- and comparisons with experiment

Abstract The nuclear Franck—Condon factor for the photodetachment processes H(D) 2 F − + hv →H(D) 2 +F+e − , H(D)F+H(D)+e − for J =0 has been calculated using the S -matrix Kohn variational method for reactive scattering on the T5a potential energy surface. The positions of peaks in the spectra of our theoretical calculations are in excellent agreement with those found in the recent experiment of Weaver and Neumark. The width of the main peak in the spectrum of H 2 F − matches perfectly with the experimental one, but the width of the main peak for the D 2 F − is narrower than the experiment.