Mutual information and correlation measures in atomic systems

被引:45
|
作者
Sagar, RP [1 ]
Guevara, NL [1 ]
机构
[1] Univ Autonoma Metropolitana Iztapalapa, Dept Quim, Mexico City 09340, DF, Mexico
来源
JOURNAL OF CHEMICAL PHYSICS | 2005年 / 123卷 / 04期
关键词
D O I
10.1063/1.1953327
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
Mutual information is introduced as an electron correlation measure and examined for isoelectronic series and neutral atoms. We show that it possesses the required characteristics of a correlation measure and is superior to the behavior of the radial correlation coefficient in the neon series. A local mutual information, and related local quantities, are used to examine the local contributions to Fermi correlation, and to demonstrate and to interpret the intimate relationship between correlation and localization. (C) 2005 American Institute of Physics.
引用
收藏
页数:10
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