Exact expressions for energy functional in the time-dependent density functional theory

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Abstract

Exact equations for correlation energy and kinetic energy correction functionals are derived in the time-dependent density functional theory. Hierarchies of equations are also obtained and approximate functionals are proposed by truncation of the hierarchies at different orders. Explicit relations for the correlation energy and its kinetic component along the adiabatic path are given in terms of powers of the moments of the electron density.

Original languageEnglish
Pages (from-to)229-233
Number of pages5
JournalInternational Journal of Quantum Chemistry
Volume92
Issue number2 SPEC.
DOIs
Publication statusPublished - Mar 15 2003

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Keywords

  • Correlation energy functional
  • Kinetic energy correction functional
  • Time-dependent density functional theory

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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