Hierarchy of equations for the energy functional of the density-functional theory

Research output: Contribution to journalArticle

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Abstract

A hierarchy of equations has been derived for the energy functionals of the density-functional theory using the virial theorem and the Levy-Perdew relation. In the local-density approximation, the solution of the equations of hierarchy for the kinetic and exchange energies provides the well-known Thomas-Fermi expression for the kinetic energy and the Slater-Gáspár-Kohn-Sham expression for the exchange. The truncation of the hierarchies of the kinetic and exchange energies results in rigorous lower bounds to the kinetic energy and upper bounds to the exchange energy in the plane-wave approximation.

Original languageEnglish
Pages (from-to)2715-2719
Number of pages5
JournalPhysical Review A
Volume47
Issue number4
DOIs
Publication statusPublished - 1993

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hierarchies
kinetic energy
density functional theory
approximation
virial theorem
energy
functionals
plane waves
energy transfer

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Atomic and Molecular Physics, and Optics

Cite this

Hierarchy of equations for the energy functional of the density-functional theory. / Nagy, A.

In: Physical Review A, Vol. 47, No. 4, 1993, p. 2715-2719.

Research output: Contribution to journalArticle

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