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Holstein polaron in two and three dimensions by quantum Monte Carlo

Martin Hohenadler·Hans Gerd Evertz·Wolfgang von der Linden
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Abstract

A recently developed quantum Monte Carlo approach to the Holstein model with one electron [PRB 69, 024301 (2004)] is extended to two and three dimensional lattices. A moderate sign problem occurs, which is found to diminish with increasing system size in all dimensions, and not to affect simulations significantly. We present an extensive study of the influence of temperature, system size, dimensionality and model parameters on the small-polaron cross over. Results are extrapolated to remove the error due to the Trotter discretization, which significantly improves the accuracy. Comparison with existing work and other quantum Monte Carlo methods is made. The method can be extended to the many-electron case.

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Martin Hohenadler, Hans Gerd Evertz, Wolfgang von der Linden. 2004-01-30. Holstein polaron in two and three dimensions by quantum Monte Carlo. https://doi.org/10.1002/pssb.200440019

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