Informational energy as a measure of electron correlation

被引：33

作者：

Flores-Gallegos, N. ^{[1
]}

机构：

[1] Benemerita Univ Guadalajara, Ctr Univ Valles, Carretera Guadalajara,Ameca Km 45-5, Ameca 46600, Jalisco, Mexico

来源：

CHEMICAL PHYSICS LETTERS | 2016年 / 666卷

关键词：

Informational energy; Correlation energy; Information theory; THEORETICAL COMPLEXITY; SHANNON-INFORMATION; NUMERICAL EVIDENCE; QUANTUM-MECHANICS; FUNCTIONAL THEORY; ENTROPY; DENSITY; MOLECULES; ATOMS;

D O I：

10.1016/j.cplett.2016.10.075

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：

In this letter we introduce a redefinition of the Onicescu's discrete informational energy, and show that our definition may be used as a correlation measure in atomic and molecular systems, we analyzed the correlation effects atoms and in a set of 1864 molecules. (C) 2016 Elsevier B. V. All rights reserved.

引用

页码：62 / 67

页数：6

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