Integral representation of the Fermi distribution and its applications in electronic-structure calculations

S. Goedecker
Phys. Rev. B 48, 17573 – Published 15 December 1993
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Abstract

We show that the Fermi distribution can be represented by an infinite sum of contour integrals in the complex energy plane. The expansion converges very rapidly and a few terms are sufficient to obtain high accuracy.

  • Received 5 April 1993

DOI:https://doi.org/10.1103/PhysRevB.48.17573

©1993 American Physical Society

Authors & Affiliations

S. Goedecker

  • Cornell Theory Center, Ithaca, New York 14853-3801

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Issue

Vol. 48, Iss. 23 — 15 December 1993

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