DV-X-ALPHA CALCULATION ON XPS FOR SF6 VALENCE LEVELS

被引:6
作者
NAKAMATSU, H [1 ]
MUKOYAMA, T [1 ]
机构
[1] HYOGO UNIV TEACHERS EDUC,YASHIRO,HYOGO 67314,JAPAN
关键词
D O I
10.1016/0368-2048(91)85044-T
中图分类号
O433 [光谱学];
学科分类号
0703 ; 070302 ;
摘要
We have performed molecular orbital calculations for SF6, using the discrete-variational X-alpha method. The obtained theoretical XPS spectra for valence levels agree well in intensity with the experimental one except for two levels which have strong covalent interactions. Two types of conventional approximations for the XPS intensity are compared and give similar spectra. The present results confirm the assignment of all the valence levels proposed by Dehmer et al. and Gelius.
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页码:265 / 270
页数:6
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