Cross section and asymmetry parameter calculations for the C 1s photoionization of CH4, CF4, and CCl4
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We have computed cross sections and asymmetry parameters for the C [Formula Presented] photoionization of [Formula Presented] [Formula Presented] F, Cl) using the Schwinger variational method with Pad corrections. We present a comparative study that shows the influence of the identity of the X atom on the computed cross sections. Predicted cross sections are in good agreement with available photoionization and photoabsorption experimental data. We conclude that the presence of heavy outer atoms produces resonance structures in the photoionization cross sections and in the asymmetry parameters. We find a single nonvalence resonant state in the photoionization of [Formula Presented] and multiple resonances in [Formula Presented] that have significant d-orbital character in the vicinity of the Cl atoms. 2003 The American Physical Society.
author list (cited authors)
Natalense, A., Brescansin, L. M., & Lucchese, R. R.
complete list of authors
Natalense, APP||Brescansin, LM||Lucchese, RR