VIBRATIONAL EFFECTS IN THE PHOTO-IONIZATION SHAPE RESONANCE LEADING TO THE C-2-SIGMA-G+ STATE OF CO2+
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The effect of vibrational averaging on the photoionization cross section and photoelectron asymmetry parameter for photoionization of CO2 leading to the C g+2 state of CO2+ has been studied. We have computed the photoionization continuum wave function in the frozen-core Hartree-Fock approximation using the iterative Schwinger variational method. Averaging over the symmetric stretching mode of CO2 reduced the peak resonant cross section by about 15%. This is in contrast to the earlier published results using the continuum multiple-scattering method where a much larger reduction in the peak cross section was obtained. A similar difference between these two theoretical methods was seen in their predicted asymmetry parameters. The present results have also been compared to available experimental data. 1982 The American Physical Society.