Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session N62: Quantum Embedding: Methods and Models
11:30 AM–2:30 PM,
Wednesday, March 8, 2023
Room: Room 417
Sponsoring
Unit:
DCOMP
Chair: Cyrus Dreyer, Stony Brook University (SUNY)
Abstract: N62.00005 : Determinantal Quantum Monte Carlo solver for Cluster Perturbation Theory*
1:06 PM–1:18 PM
Author not Attending
Presenter:
Shuhan Ding
(Massachusetts Institute of Technology)
Authors:
Shuhan Ding
(Massachusetts Institute of Technology)
Edwin W Huang
(University of Illinois at Urbana-Champai)
Yao Wang
(Clemson University)
Jiarui Liu
(Clemson University)
models with local interactions. By combining the solution of the model on a finite cluster with perturbation
theory on intra-cluster 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.
*EWH was supported by theGordon and Betty Moore Foundation EPiQS Initiativethrough the grants GBMF 4305 and GBMF 8691. Y.W.acknowledges support from the National Science Foundation(NSF) award DMR-2038011. The calculationswere performed on the Frontera computing system at theTexas Advanced Computing Center.
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