Abstract

AbstractA recently developed quantum Monte Carlo approach to the Holstein model with one electron [Phys. Rev. B 69, 024301 (2004)] is extended in several aspects. In addition to a straight‐forward generalization to higher dimensions, a checkerboard breakup for the hopping part of the Hamiltonian is introduced, which allows significantly faster simulations. Moreover, results are extrapolated towards the limit of continuous imaginary time to remove the error due to the Trotter–Suzuki approximation. The performance and accuracy of the current approach are compared to existing quantum Monte Carlo methods. To demonstrate the applicability of our method for almost arbitrary parameters, we study the small‐polaron crossover in one to three dimensions by calculating the electronic kinetic energy. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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