Information-theoretical quantities in the thermodynamical transcription of the density functional theory
Year: 2025
Type: article
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.
Author: Agnes Nagy
Institution: University of Debrecen
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: diamond
Funder: Debreceni Egyetem
OpenAlex ID: W4411896871