2005/02/18 by G. Alvarez, Gonzalo A. Álvarez, Cengiz Şen +7 · 2 citations
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Magnetic and transport properties of perovskites and related materials #Physics of Superconductivity and Magnetism #cond-mat.str-el
paper · pdf · doi:10.1016/j.cpc.2005.02.001
published as Computer Physics Communications 168, 32 (2005) · To be published in Computer Physics Communications
arxiv created 2005/02/18 · openalex publication_date 2005/03/16 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/29
A software library is presented for the polynomial expansion method (PEM) of the density of states (DOS) developed by two of the authors (N.F. and Y. M.). The library provides all necessary functions for the use of the PEM and its truncated version (TPEM) in a model independent way. The PEM/TPEM replaces the exact diagonalization of the one electron sector in models for fermions coupled to classical fields. The computational cost of the algorithm is O(N) -- with N the number of lattice sites -- for the TPEM which should be contrasted with the computational cost of the diagonalization technique that scales as O(N4). The method is applied for the first time to a double exchange model with finite Hund coupling and also to diluted spin-fermion models.