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Continuous-time quantum Monte Carlo in the hybridization expansion: implementations and applications / Patrik Gunacker

Patrik Gunacker

Published Jan 1, 2018• 0 citations
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Multiorbital quantum impurity models with general interaction and hybridization terms appear in a wide range of applications, including embedding, quantum transport, and nanoscience. However, most quantum impurity solvers are restricted to a few impurity orbitals, discretized baths, diagonal hybridizations, or density-density interactions. Here, we generalize the inchworm quantum Monte Carlo method to the interaction expansion, and we explore its application to typical single- and multiorbital problems encountered in investigations of impurity and lattice models. Our implementation generically outperforms bare and bold-line quantum Monte Carlo algorithms in the interaction expansion. For the systems studied here, our implementation remains inferior to the more specialized hybridization expansion and auxiliary field algorithms. The problem of convergence to unphysical fixed points, which hampers so-called bold-line methods, is not encountered in inchworm Monte Carlo.