Basic aspects of density functional theory

Evert Jan Baerends, Philippe Sautet, Rutger A. van Santen

Research output: Chapter in Book/Report/Conference proceedingChapterAcademicpeer-review

1 Citation (Scopus)
Original languageEnglish
Title of host publicationComputational Methods in Catalysis and Materials Science
Subtitle of host publicationAn Introduction for Scientists and Engineers
Place of PublicationWeinheim
PublisherWiley-VCH Verlag
Chapter2
Pages23-32
Number of pages10
ISBN (Print)9783527320325
DOIs
Publication statusPublished - 24 Jun 2009

Keywords

  • Brillouin theorem
  • Density functional theory
  • Exchange-correlation potential
  • Fermi-hole distributions
  • Hartree-Fock method
  • Kohn-Sham equations

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