Information-theoretical quantities in the thermodynamical transcription of the density functional theory

The Ghosh-Berkowitz-Parr idea of density functional theory as local thermodynamics is revisited. It is emphasized that the kinetic energy density and consequently the local temperature are not unique. It is highlighted that the extremal principle for the Shannon entropy and the Fisher information leads to constant temperature. Relations for the phase-space Fisher information, fidelity and relative Rényi entropy are summarized.

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Journal
Suplemento de la Revista Mexicana de Física
Published
2025-05-20
DOI
https://doi.org/10.31349/suplrevmexfis.6.011304
Primary Topic
Advanced Physical and Chemical Molecular Interactions
Type
article
Field-Weighted Citation Impact
0.00

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article

Information-theoretical quantities in the thermodynamical transcription of the density functional theory

Ágnes Nagy
Suplemento de la Revista Mexicana de Física
Advanced Physical and Chemical Molecular Interactions
article

Information-theoretical quantities in the thermodynamical transcription of the density functional theory

Ágnes Nagy
article en

Abstract

The Ghosh-Berkowitz-Parr idea of density functional theory as local thermodynamics is revisited. It is emphasized that the kinetic energy density and consequently the local temperature are not unique. It is highlighted that the extremal principle for the Shannon entropy and the Fisher information leads to constant temperature. Relations for the phase-space Fisher information, fidelity and relative Rényi entropy are summarized.

Suplemento de la Revista Mexicana de FísicaVol. 6(1)
University of Debrecen (HU)
Debreceni Egyetem
Openalex Percentile: Top 85%
Advanced Physical and Chemical Molecular Interactions
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