On the relationship between one-electron potential and densities of Fisher information and Shannon entropy

被引：9

作者：

Alipour, Mojtaba ^{[1
]}

Mohajeri, Afshan ^{[1
]}

机构：

[1] Shiraz Univ, Coll Sci, Dept Chem, Shiraz 71454, Iran

来源：

CHEMICAL PHYSICS | 2012年 / 392卷 / 01期

关键词：

One-electron potential; Information theory; Shannon entropy; Fisher information; Quantum potential; SUGGESTED INTERPRETATION; BADER LAPLACIAN; SHELL STRUCTURE; QUANTUM-THEORY; ENERGY; TERMS; ATOMS;

D O I：

10.1016/j.chemphys.2011.10.027

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：

It is shown that there is an analytical relationship between the one-electron potential (OEP) and the densities of Shannon entropy and the two forms of the Fisher information. Moreover, following the relationship between OEP and the quantum potentials in many electron systems we found that the local quantum potentials can also be related to the information theoretic measures. (C) 2011 Elsevier B. V. All rights reserved.

引用

页码：105 / 106

页数：2

共 41 条

[1] Kinetic component of the correlation energy density functional: a quantitative description from information theory [J].

Alipour, Mojtaba ;

Mohajeri, Afshan .

MOLECULAR PHYSICS, 2011, 109 (16) :1967-1973

[2] Atomic complexity measures in position and momentum spaces [J].

Angulo, J. C. ;

Antolin, J. .

JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (16)

[3] Information theory, the shape function, and the hirshfeld atom [J].

Ayers, PW .

THEORETICAL CHEMISTRY ACCOUNTS, 2006, 115 (05) :370-378

[4]

BOHM D, 1952, PHYS REV, V85, P166, DOI 10.1103/PhysRev.85.166

[5] A SUGGESTED INTERPRETATION OF THE QUANTUM THEORY IN TERMS OF HIDDEN VARIABLES .2. [J].

BOHM, D .

PHYSICAL REVIEW, 1952, 85 (02) :180-193

[6] Quantum similarity study of atomic density functions: Insights from information theory and the role of relativistic effects [J].

Borgoo, A. ;

Godefroid, M. ;

Indelicato, P. ;

De Proft, F. ;

Geerlings, P. .

JOURNAL OF CHEMICAL PHYSICS, 2007, 126 (04)

[7] Valence shell structures in the distributions of the Laplacian of the electron density and the one-electron potential for diatomic molecules [J].

Chan, WT ;

Hamilton, IP .

JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (06) :2473-2485

[8] Correspondence between the one-electron potential and the Laplacian of the electron density as indicators of proton affinity [J].

Chan, WT ;

Hamilton, IP .

CHEMICAL PHYSICS LETTERS, 1999, 301 (1-2) :53-58

[9] Theory of statistical estimation. [J].

Fisher, RA .

PROCEEDINGS OF THE CAMBRIDGE PHILOSOPHICAL SOCIETY, 1925, 22 :700-725

[10] Interacting electrons, spin statistics, and information theory [J].

Ghiringhelli, L. M. ;

Hamilton, I. P. ;

Delle Site, L. .

JOURNAL OF CHEMICAL PHYSICS, 2010, 132 (01)

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