Time-dependent density functional theory as a thermodynamics

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Abstract

A thermodynamical transcription of time-dependent density functional theory is developed. Balance equations for the energy and entropy are derived.

Original languageEnglish
Pages (from-to)48-52
Number of pages5
JournalJournal of Molecular Structure: THEOCHEM
Volume943
Issue number1-3
DOIs
Publication statusPublished - Mar 15 2010

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Keywords

  • Thermodynamical transcription
  • Time-dependent density functional theory

ASJC Scopus subject areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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