Testing the kinetic energy functional: Kinetic energy density as a density functional

Eunji Sim, Joe Larkin, Kieron Burke, Charles W. Bock

Research output: Contribution to journalArticle

25 Citations (Scopus)

Abstract

A novel route to defining the energy density of the noninteracting kinetic energy density functional is presented. In particular, a method for studying and understanding the success and limitations of suggested approximations for Ts[n] is provided. The method is illustrated by comparing it to the traditional approach on both formal and physical grounds.

Original languageEnglish
Pages (from-to)8140-8148
Number of pages9
JournalJournal of Chemical Physics
Volume118
Issue number18
DOIs
Publication statusPublished - 2003 May 8

All Science Journal Classification (ASJC) codes

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

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