Pole-Based approximation of the Fermi-Dirac function
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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.
KeywordsContour integral Fermi-Dirac function Rational approximation
2000 MR Subject Classification41A20 65F30
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