Local correlation measures and atomic shell structure

被引：0
|
作者：
Sagar, Robin P. [1 ]
Guevara, Nicolais L. [1 ]
机构：
[1] Univ Autonoma Metropolitana, Dept Quim, Mexico City 09340, DF, Mexico
来源：
CHEMICAL PHYSICS LETTERS | 2007年 / 438卷 / 4-6期
关键词：
D O I：
10.1016/j.cplett.2007.03.009
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：
The correlation coefficient and mutual information, used to measure the interdependence between two variables, are generalized to the local level and employed to examine the radial distribution of electron correlation. We compare the behavior of the two local measures with regard to their emphasis on core and valence correlation and show that while there are differences, both are able to correctly reproduce the shell structure in atomic systems. (c) 2007 Elsevier B.V. All rights reserved.
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页码：330 / 335
页数：6
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