journal article·2022-04-18Open access

Interaction-expansion inchworm Monte Carlo solver for lattice and impurity models

Jia Li, Yang Yu, Emanuel Gull, Guy Cohen

Physical Review B· Volume 105· Issue 16

Abstract

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.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Physics of Superconductivity and Magnetism · Quantum and electron transport phenomena · Advanced Chemical Physics Studies

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Physics, University of Michigan, Ann Arbor, Michigan 48109, USA

School of Chemistry, Tel Aviv University, Tel Aviv 69978, Israel

Funding

National Science Foundation · U.S. Department of Energy · Israel Science Foundation · PAZY Foundation

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