Perturbative solution of fermionic sign problem in quantum Monte Carlo computations  

作　　者：Sergei Iskakov Mikhail I.Katsnelson Alexander I.Lichtenstein 

机构地区：[1]Department of Physics,University of Michigan,Ann Arbor,Michigan 48109,USA [2]Institute for Molecules and Materials,Radboud University,6525AJ Nijmegen,The Netherlands [3]Institute of Theoretical Physics,University of Hamburg,20355 Hamburg,Germany [4]The Hamburg Centre for Ultrafast Imaging,Luruper Chaussee 149,22761 Hamburg,Germany

出　　处：《npj Computational Materials》2024年第1期2868-2876,共9页计算材料学(英文)

基　　金：supported by the Cluster of Excellence“Advanced Imaging of Matter”of the Deutsche Forschungsgemeinschaft(DFG)-EXC 2056-Project No.ID390715994 and through the research unit QUAST,FOR 5249-project No.ID449872909;by European Research Council via Synergy Grant 854843-FASTCORR;supported by the Simons Foundation via the Simons Collaboration on the Many Electron Problem;supported by National Science Foundation grant number 1548562;supported by the Cluster of Excellence“Advanced Imaging of Matter”of the Deutsche Forschungsgemeinschaft(DFG)-EXC 2056-Project No.ID390715994 and through the research unit QUAST,FOR 5249-project No.ID449872909;by European Research Council via Synergy Grant 854843-FASTCORR;supported by the Simons Foundation via the Simons Collaboration on the Many Electron Problem;supported by National Science Foundation grant number 1548562.

摘　　要：We have developed a strong-coupling perturbation scheme for a general doped Hubbard model around a particle-hole-symmetric reference system,which is free from the fermionic sign problem.Our approach is based on the lattice determinantal Quantum Monte Carlo(QMC)method in both continuous and discrete time versions for large periodic clusters in a fermionic bath.By considering the first-order perturbation in the shift of the chemical potential and the second-neighbor hopping,we are able to obtain an accurate electronic spectral function for a range of parameters that correspond to optimally doped cuprate systems at temperatures of up to T=0.1t,which are challenging to access using straightforward lattice QMC calculations.We also discuss the formation of the pseudogap and the nodal-antinodal dichotomy for a doped Hubbard systemwith the interaction parameter U equal to the bandwidth and the optimal value of the next-nearest-neighbor hopping parameter t0 for hightemperature superconducting cuprates.

关 键 词：IONIC PERTURBATION HUBBARD 

分 类 号：O41[理学—理论物理]