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arxiv: 1507.08650 · v1 · pith:I7BTXZU4new · submitted 2015-07-30 · ❄️ cond-mat.str-el

Imaginary-time matrix product state impurity solver for dynamical mean-field theory

classification ❄️ cond-mat.str-el
keywords dynamicalimpuritymatrixmean-fieldproductreal-frequencyapproximationaxis
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We present a new impurity solver for dynamical mean-field theory based on imaginary-time evolution of matrix product states. This converges the self-consistency loop on the imaginary-frequency axis and obtains real-frequency information in a final real-time evolution. Relative to computations on the real-frequency axis, required bath sizes are much smaller and less entanglement is generated, so much larger systems can be studied. The power of the method is demonstrated by solutions of a three band model in the single and two-site dynamical mean-field approximation. Technical issues are discussed, including details of the method, efficiency as compared to other matrix product state based impurity solvers, bath construction and its relation to real-frequency computations and the analytic continuation problem of quantum Monte Carlo, the choice of basis in dynamical cluster approximation, and perspectives for off-diagonal hybridization functions.

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