CONFIGURATION INTERACTION STUDY OF THE VALENCE SHELL PHOTOELECTRON-SPECTRUM OF ARGON

被引:23
作者
DYALL, KG
LARKINS, FP
机构
[1] Department of Chemistry, Monash University, Clayton
关键词
D O I
10.1016/0368-2048(79)87028-0
中图分类号
O433 [光谱学];
学科分类号
0703 ; 070302 ;
摘要
The detailed satellite structure of the photoelectron spectrum of the valence shell of Ar is investigated theoretically with correlated wavefunctions calculated by a configuration interaction technique using near Hartree-Fock numerical orbitals as a basis set. It is shown that, while the 3s23p4ns,d 2S satellites gain intensity principally from mixing with the 3s3p6 2S state, the 3s23p4np2po satellites gain intensity principally from relaxation. The remaining structure can largely be explained in terms of the 3s23p4ns,d 2D states, which gain intensity by initial state configuration interaction. © 1979.
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页码:165 / 171
页数:7
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