Multiconfiguration multichannel Schwinger study of the C(1s) photoionization of CO including shake-up satellites

Gunadya Bandarage and Robert R. Lucchese
Phys. Rev. A 47, 1989 – Published 1 March 1993
PDFExport Citation

Abstract

Often the inclusion of electron-correlation effects in photoionization calculations is crucial; e.g., calculation of satellite cross sections and asymmetry parameters in core ionization of molecules. We have developed a computational approach to include the relaxation, multiconfiguration, and multichannel effects, in a multichannel configuration-interaction (MCCI) approximation, for the study of molecular photoionization. Results are presented of a detailed MCCI-Schwinger study of the C(1s) core-hole production in CO, including the formation of the lowest two π→π* shake-up satellites. It is shown that the multichannel effects are more important in describing the satellites than the core-hole channel.

  • Received 28 August 1992

DOI:https://doi.org/10.1103/PhysRevA.47.1989

©1993 American Physical Society

Authors & Affiliations

Gunadya Bandarage and Robert R. Lucchese

  • Department of Chemistry, Texas A&M University, College Station, Texas 77843-3255

References (Subscription Required)

Click to Expand
Issue

Vol. 47, Iss. 3 — March 1993

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review A

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×