We assess numerical stabilization methods employed in fermion many-body quantum Monte Carlo simulations. In particular, we empirically compare various matrix decomposition and inversion schemes to gain control over numerical instabilities arising in the computation of equal-time and time-displaced Green's functions within the determinant quantum Monte Carlo (DQMC) framework. Based on this comparison, we identify a procedure based on pivoted QR decompositions which is both efficient and accurate to machine precision. The Julia programming language is used for the assessment and implementations of all discussed algorithms are provided in the open-source software library StableDQMC.jl. Copyright C. Bauer.
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Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USAUniv Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA
Dumitrescu, Philipp T.
Serbyn, Maksym
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Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USAUniv Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA
Serbyn, Maksym
Scalettar, Richard T.
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Univ Calif Davis, Dept Phys, Davis, CA 95616 USAUniv Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA
Scalettar, Richard T.
Vishwanath, Ashvin
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Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA
Lawrence Berkeley Natl Labs, Div Mat Sci, Berkeley, CA 94720 USAUniv Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA
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Tel Aviv Univ, Sch Chem, Tel Aviv, IsraelTel Aviv Univ, Sch Chem, Tel Aviv, Israel
Bernheimer, Liam
Atanasova, Hristiana
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Tel Aviv Univ, Sch Chem, Tel Aviv, IsraelTel Aviv Univ, Sch Chem, Tel Aviv, Israel
Atanasova, Hristiana
Cohen, Guy
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Tel Aviv Univ, Sch Chem, Tel Aviv, Israel
Tel Aviv Univ, Raymond & Beverley Sackler Ctr Computat Mol & Mat, IL-6997801 Tel Aviv, IsraelTel Aviv Univ, Sch Chem, Tel Aviv, Israel
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Univ Calif Davis, Dept Phys, Davis, CA 95616 USAUniv Calif Davis, Dept Phys, Davis, CA 95616 USA
Cohen-Stead, Benjamin
Bradley, Owen
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Univ Calif Davis, Dept Phys, Davis, CA 95616 USAUniv Calif Davis, Dept Phys, Davis, CA 95616 USA
Bradley, Owen
Miles, Cole
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Cornell Univ, Dept Phys, Ithaca, NY 14853 USAUniv Calif Davis, Dept Phys, Davis, CA 95616 USA
Miles, Cole
Batrouni, George
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Univ Cote Azur, CNRS, Inst Phys Nice INPHYNI, F-06103 Nice, France
Natl Univ Singapore, Ctr Quantum Technol, 2 Sci Dr 3, Singapore 117542, Singapore
Natl Univ Singapore, Dept Phys, 2 Sci Dr 3, Singapore 117542, SingaporeUniv Calif Davis, Dept Phys, Davis, CA 95616 USA
Batrouni, George
Scalettar, Richard
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Univ Calif Davis, Dept Phys, Davis, CA 95616 USAUniv Calif Davis, Dept Phys, Davis, CA 95616 USA
Scalettar, Richard
Barros, Kipton
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Los Alamos Natl Lab, Theoret Div, Los Alamos, NM 87545 USA
Los Alamos Natl Lab, CNLS, Los Alamos, NM 87545 USAUniv Calif Davis, Dept Phys, Davis, CA 95616 USA