Vibrational effects in the shape resonant photoionization leading to the A2T1u state of [formula omitted

Abstract

The Chase’s adiabatic approximation and Schwinger variational technique in static-exchange approximation are applied to investigate the effect of vibrational averaging on the shape resonant photoionization leading to the A2T1u state of SF6+. For this study, two of the S–F stretching vibrations are considered: the ν1 symmetric stretching mode and the two degenerate ν2 asymmetric stretching modes. Present work concludes that averaging over the asymmetric stretching mode of vibration reduces the peak eg resonant cross section by 45% relative to the results obtained at the equilibrium nuclear configuration, which agrees with experimental observation. However, the eg shape resonance is not affected significantly by averaging over the ν1 symmetric stretching mode of vibration.