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SCF and limited CI calculations for assignment of the Auger spectrum and of the satellites in the soft X-ray spectrum of H2O

✍ Scribed by H. Ågren; S. Svensson; U.I. Wahlgren

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
932 KB
Volume
35
Category
Article
ISSN
0009-2614

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✦ Synopsis

SCF and limited CI czdculstions have been performed for a number of excited states of doubly ionized water. The c-alcuhtions rrliotvcd an assignment of both the Auger spectrum and most of the satellites in the soft X-ray spectrum. The assignment for the two highest _ceaks in the Auger spectrum was ambiguous. SCF calculations of the K emission spectrum of Hz0 were also performed. It was found that limited CI wlculations were of importance for same states with two open sheUs in one symmetry. Such effects arc caused by large off-diagonal lsgangjan multipliers connecting the open shells in the reference confIguration.

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