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Multipole representation of the Fermi operator with application to the electronic structure analysis of metallic systems
(Physical Review B - Condensed Matter and Materials Physics, 2009-03-03)
We propose a multipole representation of the Fermi-Dirac function and the Fermi operator and use this representation to develop algorithms for electronic structure analysis of metallic systems. The algorithm is quite simple ...
Pole-based approximation of the Fermi-dirac function
(Chinese Annals of Mathematics. Series B, 2009-12-01)
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 ...