Density functional theory as a major tool in computational materials science

Arthur J Freeman*, Erich Wimmer

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

31 Scopus citations
Original languageEnglish (US)
Pages (from-to)7-36
Number of pages30
JournalAnnual Review of Materials Science
Issue number1
StatePublished - Jan 1 1995


  • Atomistic simulations
  • Electronic structure
  • Kohn-Sham equations

ASJC Scopus subject areas

  • Materials Science(all)

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