MULTICONFIGURATION MULTICHANNEL SCHWINGER STUDY OF THE C(1S) PHOTOIONIZATION OF CO INCLUDING SHAKE-UP SATELLITES

被引:47
作者
BANDARAGE, G
LUCCHESE, RR
机构
[1] Department of Chemistry, Texas A and M University, College Station
来源
PHYSICAL REVIEW A | 1993年 / 47卷 / 03期
关键词
D O I
10.1103/PhysRevA.47.1989
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
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(Is) core-hole production in CO, including the formation of the lowest two pi-->pi* shake-up satellites. It is shown that the multichannel effects are more important in describing the satellites than the core-hole channel.
引用
收藏
页码:1989 / 2003
页数:15
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