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Pole-Based approximation of the Fermi-Dirac function

  • Lin Lin
  • Jianfeng Lu
  • Lexing Ying
  • E. Weinan
Article

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.

Keywords

Contour integral Fermi-Dirac function Rational approximation 

2000 MR Subject Classification

41A20 65F30 

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Copyright information

© Editorial Office of CAM (Fudan University) and Springer Berlin Heidelberg 2009

Authors and Affiliations

  1. 1.Program in Applied and Computational MathematicsPrinceton UniversityPrincetonUSA
  2. 2.Department of Mathematics and ICESUniversity of Texas at Austin, 1 University Station/C1200AustinUSA
  3. 3.Department of Mathematics and PACMPrinceton UniversityPrincetonUSA

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