Thermodynamical transcription of density functional theory with minimum Fisher information

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Ghosh, Berkowitz and Parr designed a thermodynamical transcription of the ground-state density functional theory and introduced a local temperature that varies from point to point. The theory, however, is not unique because the kinetic energy density is not uniquely defined. Here we derive the expression of the phase-space Fisher information in the GBP theory taking the inverse temperature as the Fisher parameter. It is proved that this Fisher information takes its minimum for the case of constant temperature. This result is consistent with the recently proven theorem that the phase-space Shannon information entropy attains its maximum at constant temperature.

Original languageEnglish
Pages (from-to)149-152
Number of pages4
JournalChemical Physics Letters
Volume695
DOIs
Publication statusPublished - Mar 1 2018

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Fisher information
Transcription
Density functional theory
density functional theory
Temperature
temperature
Kinetic energy
Ground state
Entropy
flux density
theorems
kinetic energy
entropy
ground state

Keywords

  • Density functional theory
  • Fisher information

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Thermodynamical transcription of density functional theory with minimum Fisher information. / Nagy, A.

In: Chemical Physics Letters, Vol. 695, 01.03.2018, p. 149-152.

Research output: Contribution to journalArticle

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