TY - JOUR
T1 - Pole-based approximation of the Fermi-dirac function
AU - Lin, Lin
AU - Lu, Jianfeng
AU - Ying, Lexing
AU - Weinan, E.
N1 - Funding Information:
Manuscript received June 6, 2009. Published online August 18, 2009. ∗Program in Applied and Computational Mathematics, Princeton University, Princeton, NJ 08544, USA. E-mail: [email protected] [email protected] ∗∗Department of Mathematics and ICES, University of Texas at Austin, 1 University Station/C1200, Austin, TX 78712, USA. E-mail: [email protected] ∗∗∗Department of Mathematics and PACM, Princeton University, Princeton, NJ 08544, USA. E-mail: [email protected] ∗∗∗∗Project supported by 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.
PY - 2009/12
Y1 - 2009/12
N2 - 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.
AB - 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.
KW - Contour integral
KW - Fermi-Dirac function
KW - Rational approximation
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U2 - 10.1007/s11401-009-0201-7
DO - 10.1007/s11401-009-0201-7
M3 - Article
AN - SCOPUS:71249126471
SN - 0252-9599
VL - 30
SP - 729
EP - 742
JO - Chinese Annals of Mathematics. Series B
JF - Chinese Annals of Mathematics. Series B
IS - 6
ER -