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

Research output: Contribution to journalArticle

3 Citations (Scopus)

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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Kinetic energy
Density functional theory
Carrier concentration
density functional theory
functionals
Kinetics
hierarchies
energy
kinetic energy
moments
kinetics
approximation

Keywords

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

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Exact expressions for energy functional in the time-dependent density functional theory. / Nagy, A.

In: International Journal of Quantum Chemistry, Vol. 92, No. 2 SPEC., 15.03.2003, p. 229-233.

Research output: Contribution to journalArticle

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