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Title: Solutions of the two-dimensional Hubbard model: Benchmarks and results from a wide range of numerical algorithms

Numerical results for ground-state and excited-state properties (energies, double occupancies, and Matsubara-axis self-energies) of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in order to provide an assessment of our ability to compute accurate results in the thermodynamic limit. Many methods are employed, including auxiliary-field quantum Monte Carlo, bare and bold-line diagrammatic Monte Carlo, method of dual fermions, density matrix embedding theory, density matrix renormalization group, dynamical cluster approximation, diffusion Monte Carlo within a fixed-node approximation, unrestricted coupled cluster theory, and multireference projected Hartree-Fock methods. Comparison of results obtained by different methods allows for the identification of uncertainties and systematic errors. The importance of extrapolation to converged thermodynamic-limit values is emphasized. Furthermore, cases where agreement between different methods is obtained establish benchmark results that may be useful in the validation of new approaches and the improvement of existing methods.
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Publication Date:
OSTI Identifier:
Grant/Contract Number:
Accepted Manuscript
Journal Name:
Physical Review. X
Additional Journal Information:
Journal Volume: 5; Journal Issue: 4; Journal ID: ISSN 2160-3308
American Physical Society
Research Org:
Princeton Univ., Princeton, NJ (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Contributing Orgs:
Simons Collaboration on the Many-Electron Problem
Country of Publication:
United States
computational physics; condensed matter physics; strongly correlated materials