A partial fraction decomposition of the Fermi function

Abstract

A partial fraction decomposition of the Fermi function resulting in a finite sum over simple poles is proposed. This allows for efficient calculations involving the Fermi function in various contexts of electronic structure or electron transport theories. The proposed decomposition converges in a well-defined region faster than exponential and is thus superior to the standard Matsubara expansion.

7 pages, 5 figures

References in corpus (2)

• The influence of ultra-fast laser pulses on electron transfer in molecular wires studied by a non-Markovian density matrix approach
• Finite-temperature evaluation of the Fermi density operator

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