Approximate kinetic energy density functionals generated by local-scaling transformations

E. V. Ludeña, R. López-Boada, R. Pino

Research output: Contribution to journalArticlepeer-review

17 Scopus citations

Abstract

Different stages in the development of density functional theory are succinctly reviewed for the purpose of tracing the origin of the local-scaling transformation version of density functional theory. Explicit kinetic energy functionals are generated within this theory. These functionals are analyzed in terms of several approximations to the local-scaling function and are applied to a few selected first-row atoms.

Original languageEnglish (US)
Pages (from-to)1097-1105
Number of pages9
JournalCanadian Journal of Chemistry
Volume74
Issue number6
DOIs
StatePublished - 1996

Keywords

  • Density functional theory
  • Explicit kinetic energy functionals
  • Kinetic energy density functionals
  • Kinetic energy of first-row atoms
  • Local-scaling transformations

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Organic Chemistry

Fingerprint

Dive into the research topics of 'Approximate kinetic energy density functionals generated by local-scaling transformations'. Together they form a unique fingerprint.

Cite this