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Bulletin of the American Physical Society

Diagrammatic Monte Carlo sampling of the dual-fermion expansion for the Hubbard model

Jan Gukelberger, Evgeny Kozik, Hartmut Hafermann

Published Mar 16, 2016• 0 citations
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•Jul 5, 2009•0 citations
Using a dual representation of lattice fermion models that is based on spin-charge transformation and fermionization of the original description, I derive an algorithm for diagrammatic Monte Carlo simulation of strongly correlated systems. This scheme allows eliminating large expansion parameters, as well as large corrections to the density matrix that generally prevent diagrammatic methods from being efficient in this regime. As an example, I compute the filling factor for the Hubbard model at infinite on-site repulsion and compare the results to controllable data obtained from numerical linked-cluster expansion. I find excellent agreement between the two methods, as well as rapid convergence of the diagrammatic series. I also report results for the momentum distribution and kinetic energy of the electrons.
We show that Monte Carlo sampling of the Feynman diagrammatic series (DiagMC) can be used for tackling hard fermionic quantum many-body problems in the thermodynamic limit by presenting accurate results for the repulsive Hubbard model in the correlated Fermi liquid regime. Sampling Feynman's diagrammatic series for the single-particle self-energy we can study moderate values of the on-site repulsion (U/t∼4U/t \sim 4U/t∼4) and temperatures down to T/t=1/40T/t=1/40T/t=1/40. We compare our results with high temperature series expansion and with single-site and cluster dynamical mean-field theory.