Fisher and Shannon information in orbital-free density functional theory

The Euler equation of the orbital‐free density functional theory is formulated with the specific Shannon and Fisher information. One of the new forms contains only the specific Shannon information. In spherically symmetric systems, the Euler equation can be formalized with the specific Fisher inform...

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Bibliographic Details
Published in:International journal of quantum chemistry 2015-10, Vol.115 (19), p.1392-1395
Main Author: Nagy, Ágnes
Format: Article
Language:English
Subjects:
Chemistry
Fisher information
orbital free density functional theory
Physical chemistry
Quantum physics
Shannon information
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Summary:The Euler equation of the orbital‐free density functional theory is formulated with the specific Shannon and Fisher information. One of the new forms contains only the specific Shannon information. In spherically symmetric systems, the Euler equation can be formalized with the specific Fisher information only. Both the Fisher information and the length of the local wave vector are descriptors of the spherically symmetric Coulomb systems. © 2014 Wiley Periodicals, Inc. Information theory concepts are getting traction in both physics and chemistry. Very relevant for density function theory is the relationship established between the quantum mechanical kinetic energy functional and the Fisher information. The Shannon information has instead proved to be a very useful tool in analyzing atoms and molecules. In this article, the Euler equation (independent from the number of electrons) of the orbital‐free density functional theory is reformulated with the Shannon and Fisher information.
ISSN:0020-7608
1097-461X
DOI:10.1002/qua.24812