Pole-based approximation of the Fermi-dirac function

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2009-12-01

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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 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. © Editorial Office of CAM and Springer-Verlag Berlin Heidelberg 2009.

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10.1007/s11401-009-0201-7

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Lin, Lin, Jianfeng Lu, Lexing Ying and Weinan E (2009). Pole-based approximation of the Fermi-dirac function. Chinese Annals of Mathematics. Series B, 30(6). pp. 729–742. 10.1007/s11401-009-0201-7 Retrieved from https://hdl.handle.net/10161/14062.

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Lu

Jianfeng Lu

Professor of Mathematics

Jianfeng Lu is an applied mathematician interested in mathematical analysis and algorithm development for problems from computational physics, theoretical chemistry, materials science, machine learning, and other related fields.

More specifically, his current research focuses include:
High dimensional PDEs; generative models and sampling methods; control and reinforcement learning; electronic structure and many body problems; quantum molecular dynamics; multiscale modeling and analysis.


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