Ground-state energy and one-body virial in density functional theory of atomic ions

A. Nagy, N. H. March

Research output: Contribution to journalArticle

Abstract

The relation between the ground-state energy and the one-body virial is discussed. Using a result of Levy and Perdew, the exchange energy, the correlation contribution to the kinetic energy and the correlation energy are also related to the one-body virial and contribution written explicitly in terms of the density. The sum of the orbital energies is likewise expressed.

Original languageEnglish
Pages (from-to)339-341
Number of pages3
JournalChemical Physics
Volume140
Issue number3
DOIs
Publication statusPublished - Feb 1 1990

Fingerprint

Kinetic energy
Ground state
Density functional theory
Ions
density functional theory
ground state
ions
energy
kinetic energy
energy transfer
orbitals

ASJC Scopus subject areas

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

Cite this

Ground-state energy and one-body virial in density functional theory of atomic ions. / Nagy, A.; March, N. H.

In: Chemical Physics, Vol. 140, No. 3, 01.02.1990, p. 339-341.

Research output: Contribution to journalArticle

@article{1cea8d7161d94382b95b6523fe324b6f,
title = "Ground-state energy and one-body virial in density functional theory of atomic ions",
abstract = "The relation between the ground-state energy and the one-body virial is discussed. Using a result of Levy and Perdew, the exchange energy, the correlation contribution to the kinetic energy and the correlation energy are also related to the one-body virial and contribution written explicitly in terms of the density. The sum of the orbital energies is likewise expressed.",
author = "A. Nagy and March, {N. H.}",
year = "1990",
month = "2",
day = "1",
doi = "10.1016/0301-0104(90)80001-E",
language = "English",
volume = "140",
pages = "339--341",
journal = "Chemical Physics",
issn = "0301-0104",
publisher = "Elsevier",
number = "3",

}

TY - JOUR

T1 - Ground-state energy and one-body virial in density functional theory of atomic ions

AU - Nagy, A.

AU - March, N. H.

PY - 1990/2/1

Y1 - 1990/2/1

N2 - The relation between the ground-state energy and the one-body virial is discussed. Using a result of Levy and Perdew, the exchange energy, the correlation contribution to the kinetic energy and the correlation energy are also related to the one-body virial and contribution written explicitly in terms of the density. The sum of the orbital energies is likewise expressed.

AB - The relation between the ground-state energy and the one-body virial is discussed. Using a result of Levy and Perdew, the exchange energy, the correlation contribution to the kinetic energy and the correlation energy are also related to the one-body virial and contribution written explicitly in terms of the density. The sum of the orbital energies is likewise expressed.

UR - http://www.scopus.com/inward/record.url?scp=45149136695&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=45149136695&partnerID=8YFLogxK

U2 - 10.1016/0301-0104(90)80001-E

DO - 10.1016/0301-0104(90)80001-E

M3 - Article

AN - SCOPUS:45149136695

VL - 140

SP - 339

EP - 341

JO - Chemical Physics

JF - Chemical Physics

SN - 0301-0104

IS - 3

ER -