Browsing by Author "Gull, Emanuel"

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    Solutions of the Two-Dimensional Hubbard Model: Benchmarks and Results from a Wide Range of Numerical Algorithms
    (American Physical Society, 2015) LeBlanc, J.P.F.; Antipov, Andrey E.; Becca, Federico; Bulik, Ireneusz W.; Chan, Garnet Kin-Lic; Chung, Chia-Min; Deng, Youjin; Ferrero, Michel; Henderson, Thomas M.; Jiménez-Hoyos, Carlos A.; Kozik, E.; Liu, Xuan-Wen; Millis, Andrew J.; Prokof’ev, N.V.; Qin, Mingpu; Scuseria, Gustavo E.; Shi, Hao; Svistunov, B.V.; Tocchio, Luca F.; Tupitsyn, I.S.; White, Steven R.; Zhang, Shiwei; Zheng, Bo-Xiao; Zhu, Zhenyue; Gull, Emanuel; Simons Collaboration on the Many-Electron Problem
    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. 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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    Towards the Solution of the Many-Electron Problem in Real Materials: Equation of State of the Hydrogen Chain with State-of-the-Art Many-Body Methods
    (American Physical Society, 2017) Motta, Mario; Ceperley, David M.; Chan, Garnet Kin-Lic; Gomez, John A.; Gull, Emanuel; Guo, Sheng; Jiménez-Hoyos, Carlos A.; Lan, Tran Nguyen; Li, Jia; Ma, Fengjie; Millis, Andrew J.; Prokof’ev, Nikolay V.; Ray, Ushnish; Scuseria, Gustavo E.; Sorella, Sandro; Stoudenmire, Edwin M.; Sun, Qiming; Tupitsyn, Igor S.; White, Steven R.; Zgid, Dominika; Zhang, Shiwei
    We present numerical results for the equation of state of an infinite chain of hydrogen atoms. A variety of modern many-body methods are employed, with exhaustive cross-checks and validation. Approaches for reaching the continuous space limit and the thermodynamic limit are investigated, proposed, and tested. The detailed comparisons provide a benchmark for assessing the current state of the art in many-body computation, and for the development of new methods. The ground-state energy per atom in the linear chain is accurately determined versus bond length, with a confidence bound given on all uncertainties.