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

页码：7971 / 7975

页数：5

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