Time-dependent pair density from the principle of minimum Fisher information

Research output: Contribution to journalArticle

Abstract

The Euler equation for the time-dependent pair density is derived from the principle of minimum Fisher information. The same Euler equation is also derived from the recently introduced time-dependent pair density functional theory. The concept of steric effect to electron pairs is proposed and the steric pair energy is defined as the Weizsäcker kinetic energy of electron pairs.

Original languageEnglish
Article number234
JournalJournal of Molecular Modeling
Volume24
Issue number9
DOIs
Publication statusPublished - Sep 1 2018

Keywords

  • Fisher information
  • Minimum principle of Fisher information
  • Pair density
  • Time-dependent pair density functional theory

ASJC Scopus subject areas

  • Catalysis
  • Computer Science Applications
  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Computational Theory and Mathematics
  • Inorganic Chemistry

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