2003/05/31 by Martin Hohenadler, Hans Gerd Evertz, Wolfgang von der Linden · 2 citations
Materials Science · Physics and Astronomy · #Magnetic and transport properties of perovskites and related materials #Physics of Superconductivity and Magnetism #Quantum and electron transport phenomena #cond-mat.str-el
paper · pdf · doi:10.1103/physrevb.69.024301
published as PRB 69, 024301 (2004) · 18 pages, 11 Figures, v2: one typo corrected
openalex publication_date 2004/01/15 · arxiv created 2004/01/24 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Based on the canonical Lang-Firsov transformation of the Hamiltonian we develop a very efficient quantum Monte Carlo algorithm for the Holstein model with one electron. Separation of the fermionic degrees of freedom by a reweighting of the probability distribution leads to a dramatic reduction in computational effort. A principal component representation of the phonon degrees of freedom allows to sample completely uncorrelated phonon configurations. The combination of these elements enables us to perform efficient simulations for a wide range of temperature, phonon frequency, and electron-phonon coupling on clusters large enough to avoid finite-size effects. The algorithm is tested in one dimension and the data are compared with exact-diagonalization results and with existing work. Moreover, the ideas presented here can also be applied to the many-electron case. In the one-electron case considered here, the physics of the Holstein model can be described by a simple variational approach.