Cluster size convergence of the density matrix embedding theory and its dynamical cluster formulation: a study with an auxiliary-field quantum Monte Carlo solver

11 Aug 2016 Zheng Bo-Xiao Kretchmer Joshua S. Shi Hao Zhang Shiwei Chan Garnet Kin-Lic

We investigate the cluster size convergence of the energy and observables using two forms of density matrix embedding theory (DMET): the original cluster form (CDMET) and a new formulation motivated by the dynamical cluster approximation (DCA-DMET). Both methods are applied to the half-filled one- and two-dimensional Hubbard models using a sign-problem free auxiliary-field quantum Monte Carlo (AFQMC) impurity solver, which allows for the treatment of large impurity clusters of up to 100 sites... (read more)

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