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Phys. Rev. A 68, 032701 (2003) [7 pages]

Cross section and asymmetry parameter calculations for the C 1s photoionization of CH4, CF4, and CCl4

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Alexandra P. P. Natalense and Luiz M. Brescansin
Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas, Unicamp, 13083-970 Campinas, São Paulo, Brazil

Robert R. Lucchese
Department of Chemistry, Texas A&M University, College Station, Texas 77843-3255, USA

Received 5 May 2003; published 4 September 2003

We have computed cross sections and asymmetry parameters for the C 1s photoionization of CX4 (X=H, F, Cl) using the Schwinger variational method with Padé 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 CF4 and multiple resonances in CCl4 that have significant d-orbital character in the vicinity of the Cl atoms.

© 2003 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.68.032701
DOI:
10.1103/PhysRevA.68.032701
PACS:
33.80.Eh