Lucchese, Robert R. and McKoy, Vincent (1982) Studies of differential and total photoionization cross sections of carbon dioxide. Physical Review A, 26 (3). pp. 1406-1418. ISSN 0556-2791. http://resolver.caltech.edu/CaltechAUTHORS:LUCpra82c
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The photoionization of CO2 has been studied using accurate frozen-core Hartree-Fock final-state wave functions. The Hartree-Fock continuum equations were solved using the iterative Schwinger variational method. We present differential and total cross sections for photoionization leading to the X 2Πg, A 2Πu, B 2Σu+, and C 2Σg+, states of CO2+ as well as for oxygen and carbon K-shell photoionization. The present cross sections are compared to experimental data and are found to be in generally good agreement. The theoretical cross sections exhibit features due to a narrow shape resonance in those channels where the continuum wave functions have σu symmetry. The relation between these results and experimental cross sections is discussed. The present fixed-nuclei results have also been compared to published theoretical results obtained using the Stieltjes-Tchebycheff moment theory approach and the continuum multiple-scattering method.
|Additional Information:||©1982 The American Physical Society Received 9 October 1981 We want to thank T.A. Carlson for making available to us experimental asymmetry parameters prior to publication. One of us (R.R.L.) acknowledges support from an Exxon Foundation Graduate Educational Fellowship. This material is based upon work supported by the National Science Foundation under Grant No. CHE80-40870. 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. We also thank Dr. W. Domcke for helpful discussions concerning our results.|
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|Deposited On:||19 Dec 2006|
|Last Modified:||26 Dec 2012 09:24|
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