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.
- Received 8 April 2009
DOI:https://doi.org/10.1103/PhysRevB.80.073102
©2009 American Physical Society