Hierarchy of equations in the generalized density functional Theory

Research output: Contribution to journalArticle

27 Citations (Scopus)

Abstract

Functional relations and equations of hierarchy in the generalized density functional theory (DFT) are derived from coordinate scaling and adiabatic connection. Local and nonlocal solutions for the noninteracting kinetic energy, exchange energy, correlation energy, and the kinetic energy correction functional are presented.

Original languageEnglish
Pages (from-to)1043-1051
Number of pages9
JournalInternational Journal of Quantum Chemistry
Volume106
Issue number5
DOIs
Publication statusPublished - Apr 2006

Fingerprint

Kinetic energy
hierarchies
Density functional theory
kinetic energy
density functional theory
Ion exchange
energy transfer
scaling
energy

Keywords

  • Correlation energy functional
  • Exchange
  • Generalized density functional theory
  • Hierarchy of equations
  • Kinetic

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Hierarchy of equations in the generalized density functional Theory. / Nagy, A.

In: International Journal of Quantum Chemistry, Vol. 106, No. 5, 04.2006, p. 1043-1051.

Research output: Contribution to journalArticle

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