Mathematics – Numerical Analysis
Scientific paper
2009-06-07
Chinese Ann. Math. Ser. B, 30, 729-742 (2009)
Mathematics
Numerical Analysis
16 pages, 8 figures, dedicated to Professor Andy Majda on the occasion of his 60th birthday
Scientific paper
10.1007/s11401-009-0201-7
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.
Lin Lin
Lu Jianfeng
Weinan E.
Ying Lexing
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