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arXiv · 1607.01401

Diagrammatic Monte Carlo for Dual Fermions

Sergei Iskakov·Andrey E. Antipov·Emanuel Gull
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Abstract

We introduce a numerical algorithm to stochastically sample the dual fermion perturbation series around the dynamical mean field theory, generating all topologies of two-particle interaction vertices. We show results in the weak and strong coupling regime of the half-filled Hubbard model in two dimensions, illustrating that the method converges quickly where dynamical mean field theory is a good approximation, and show that corrections are large in the strong correlation regime at intermediate interaction. The fast convergence of dual corrections to dynamical mean field results illustrates the power of the approach and opens a practical avenue towards the systematic inclusion of non-local correlations in correlated materials simulations. An analysis of the frequency scale shows that only low-frequency propagators contribute substantially to the diagrams, putting the inclusion of higher order vertices within reach.

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Sergei Iskakov, Andrey E. Antipov, Emanuel Gull. 2016-07-05. Diagrammatic Monte Carlo for Dual Fermions. https://doi.org/10.1103/physrevb.94.035102

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