The correlation energy in terms of density moments along the adiabatic connection in the density functional theory

E. Bene, A. Nagy

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

Hierarchies of equations for the correlation energy and kinetic energy correction functionals are reviewed. Truncation of the hierarchies at different orders leads to explicit relations for the correlation energy and its kinetic component which are expanded in terms of powers of the moments of the electron density. The dependence of the correlation energy on the adiabatic constant is presented for several atoms and ions. For some two- and four-electron systems the correlation energy and its derivative are compared with the exact results, and with the local density and the generalized gradient values.

Original languageEnglish
Pages (from-to)475-481
Number of pages7
JournalChemical Physics Letters
Volume324
Issue number5-6
Publication statusPublished - Jul 14 2000

Fingerprint

Density functional theory
density functional theory
moments
Electrons
Kinetic energy
Carrier concentration
hierarchies
Ions
Derivatives
Atoms
Kinetics
energy
functionals
electrons
kinetic energy
gradients
kinetics
approximation
atoms
ions

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

The correlation energy in terms of density moments along the adiabatic connection in the density functional theory. / Bene, E.; Nagy, A.

In: Chemical Physics Letters, Vol. 324, No. 5-6, 14.07.2000, p. 475-481.

Research output: Contribution to journalArticle

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