Vibrational effects in the photoionization shape resonance leading to the C 2Σg+ state of CO2+
- Creators
- Lucchese, Robert R.
- McKoy, Vincent
Abstract
The effect of vibrational averaging on the photoionization cross section and photoelectron asymmetry parameter for photoionization of CO2 leading to the C 2Σg+ 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.
Additional Information
©1982 The American Physical Society Received 5 October 1981 This material is based upon work supported by the National Science Foundation under Grant No. CHE80-40870. One of us (R.R.L.) acknowledges support from an Exxon Foundation Graduate Educational Fellowship. The research reported in this paper made use of the Dreyfus-NSF Theoretical Chemistry Computer which was funded through grants from the Camille and Henry Dreyfus Foundation, the National Science Foundation (Grant No. CHE78-20235), and the Sloan Fund of the California Institute of Technology.Files
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Additional details
- Eprint ID
- 6740
- Resolver ID
- CaltechAUTHORS:LUCpra82d
- Created
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2006-12-20Created from EPrint's datestamp field
- Updated
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2021-11-08Created from EPrint's last_modified field