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| Pole-Based Approximation of the Fermi-Dirac Function |
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Citation： |
Lin LIN,Jianfeng LU,Lexing YING,Weinan E.Pole-Based Approximation of the Fermi-Dirac Function[J].Chinese Annals of Mathematics B,2009,30(6):729~742 |
| Page view： 1756
Net amount： 1160 |
Authors： |
Lin LIN; Jianfeng LU; Lexing YING; Weinan E; |
Foundation： |
the Department of Energy (No. DE-FG02-03ER25587), the Office of Naval Research
(No. N00014-01-1-0674), an Alfred P. Sloan Research Fellowship and a startup grant from University of
Texas at Austin. |
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| Abstract： |
Two approaches for the efficient rational approximation of the Fermi-Dirac
function are discussed: one uses the contour integral representation and conformal map-
ping, 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 |
Classification： |
41A20, 65F30 |
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