Explicit core-hole localization and relaxation effects in the calculation of inner-shell spectrum of C2H4

被引：8
|
作者：
Rocha, AB [1 ]
Bielschowsky, CE [1 ]
机构：
[1] Univ Fed Rio de Janeiro, Inst Quim, BR-21949900 Rio De Janeiro, Brazil
来源：
JOURNAL OF CHEMICAL PHYSICS | 2000年 / 113卷 / 18期
关键词：
D O I：
10.1063/1.1316014
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Theoretical results for K-shell spectrum (C 1s) of ethylene are presented. Core-hole localization and relaxation effects are explicitly considered by means of a three structures generalized multistructural (GMS) wave function. Values for the generalized (GOS) and optical (OOS) oscillator strengths for the low-lying C 1s states are reported. (C) 2000 American Institute of Physics. [S0021-9606(00)30242-2].
引用
收藏
页码：7971 / 7975
页数：5
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