Pole-based approximation of Fermi-Dirac function
arXiv:0906.1319 · doi:10.1007/s11401-009-0201-7
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.
16 pages, 8 figures, dedicated to Professor Andy Majda on the occasion of his 60th birthday