Determinantal quantum Monte Carlo solver for cluster perturbation theory

ORAL

Abstract

Cluster perturbation theory (CPT) is a technique for computing the spectral function of fermionic models with local interactions. By combining the solution of the model on a finite cluster with perturbation theory on intracluster hoppings, CPT provides access to single-particle properties with arbitrary momentum resolution while incurring low computational cost. Here, we introduce determinantal quantum Monte Carlo (DQMC) as a solver for CPT. Compared to the standard solver, exact diagonalization (ED), the DQMC solver reduces finite size effects through utilizing larger clusters, allows study of temperature dependence, and enables large-scale simulations of a greater set of models. We discuss the implementation of the DQMC solver for CPT and benchmark the CPT + DQMC method for the attractive and repulsive Hubbard models, showcasing its advantages over standard DQMC and CPT + ED simulations.

* E.W.H. was supported by the Gordon and Betty Moore Foundation EPiQS Initiative through Grants No. GBMF 4305 and No. GBMF 8691. Y.W. acknowledges support from the National Science Foundation (NSF) Award No. DMR-2038011. The calculations were performed on the Frontera computing system at the Texas Advanced Computing Center

Publication: E. W. Huang, S. Ding, J. Liu, Y. Wang, Phys. Rev. Research 4, L042015 (2022)

Presenters

  • Edwin W Huang

    University of Notre Dame

Authors

  • Edwin W Huang

    University of Notre Dame

  • Shuhan Ding

    Massachusetts Institute of Technology

  • Jiarui Liu

    Clemson University

  • Yao Wang

    Emory University, Department of Chemistry, Emory University, Atlanta, GA, 30322, USA, Clemson University