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

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 \ensuremath{\pi}\ensuremath{\rightarrow}${\mathrm{\ensuremath{\pi}}}^{\mathrm{*}}$ shake-up satellites. It is shown that the multichannel effects are more important in describing the satellites than the core-hole channel.