Functional derivative of the kinetic energy functional for spherically symmetric systems

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

Ensemble non-interacting kinetic energy functional is constructed for spherically symmetric systems. The differential virial theorem is derived for the ensemble. A first-order differential equation for the functional derivative of the ensemble non-interacting kinetic energy functional and the ensemble Pauli potential is presented. This equation can be solved and a special case of the solution provides the original non-interacting kinetic energy of the density functional theory.

Original languageEnglish
Article number044106
JournalThe Journal of Chemical Physics
Volume135
Issue number4
DOIs
Publication statusPublished - Jul 28 2011

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Kinetic energy
kinetic energy
Derivatives
virial theorem
Density functional theory
Differential equations
differential equations
density functional theory

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Functional derivative of the kinetic energy functional for spherically symmetric systems. / Nagy, A.

In: The Journal of Chemical Physics, Vol. 135, No. 4, 044106, 28.07.2011.

Research output: Contribution to journalArticle

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