Pole-based approximation of the Fermi-dirac function

Lin Lin, Jianfeng Lu, Lexing Ying, E. Weinan

Research output: Contribution to journalArticle

32 Scopus citations

Abstract

Two approaches for the efficient rational approximation of the Fermi-Dirac function are discussed: one uses the contour integral representation and conformal mapping, and the other is based on a version of the multipole representation of the Fermi-Dirac function that uses only simple poles. Both representations have logarithmic computational complexity. They are of great interest for electronic structure calculations.

Original languageEnglish (US)
Pages (from-to)729-742
Number of pages14
JournalChinese Annals of Mathematics. Series B
Volume30
Issue number6
DOIs
StatePublished - Dec 1 2009

All Science Journal Classification (ASJC) codes

  • Mathematics(all)
  • Applied Mathematics

Keywords

  • Contour integral
  • Fermi-Dirac function
  • Rational approximation

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