Quantum quasi Monte Carlo algorithm for out-of-equilibrium Green functions at long times
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作者:
Bertrand, Corentin
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Flatiron Inst, Ctr Computat Quantum Phys, 162 5th Ave, New York, NY 10010 USAFlatiron Inst, Ctr Computat Quantum Phys, 162 5th Ave, New York, NY 10010 USA
Bertrand, Corentin
[1
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Bauernfeind, Daniel
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Flatiron Inst, Ctr Computat Quantum Phys, 162 5th Ave, New York, NY 10010 USAFlatiron Inst, Ctr Computat Quantum Phys, 162 5th Ave, New York, NY 10010 USA
Bauernfeind, Daniel
[1
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Dumitrescu, Philipp T.
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Flatiron Inst, Ctr Computat Quantum Phys, 162 5th Ave, New York, NY 10010 USAFlatiron Inst, Ctr Computat Quantum Phys, 162 5th Ave, New York, NY 10010 USA
Dumitrescu, Philipp T.
[1
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Macek, Marjan
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机构:
Univ Grenoble Alpes, IRIG PHELIQS, CEA, F-38000 Grenoble, FranceFlatiron Inst, Ctr Computat Quantum Phys, 162 5th Ave, New York, NY 10010 USA
Macek, Marjan
[2
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Waintal, Xavier
[2
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Parcollet, Olivier
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机构:
Flatiron Inst, Ctr Computat Quantum Phys, 162 5th Ave, New York, NY 10010 USA
Univ Paris Saclay, Inst Phys Theor, CEA, CNRS, F-91191 Gif Sur Yvette, FranceFlatiron Inst, Ctr Computat Quantum Phys, 162 5th Ave, New York, NY 10010 USA
Parcollet, Olivier
[1
,3
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机构:
[1] Flatiron Inst, Ctr Computat Quantum Phys, 162 5th Ave, New York, NY 10010 USA
[2] Univ Grenoble Alpes, IRIG PHELIQS, CEA, F-38000 Grenoble, France
[3] Univ Paris Saclay, Inst Phys Theor, CEA, CNRS, F-91191 Gif Sur Yvette, France
We extend the recently developed quantum quasi Monte Carlo (QQMC) approach to obtain the full frequency dependence of Green functions in a single calculation. QQMC is a general approach for calculating high-order perturbative expansions in power of the electron-electron interaction strength. In contrast to conventional Markov chain Monte Carlo sampling, QQMC uses low-discrepancy sequences for a more uniform sampling of the multidimensional integrals involved and can potentially outperform Monte Carlo by several orders of magnitude. A core concept of QQMC is the a priori construction of a "model function" that approximates the integrand and is used to optimize the sampling distribution. In this paper, we show that the model function concept extends to a kernel approach for the computation of Green functions. We illustrate the approach on the Anderson impurity model and show that the scaling of the error with the number of integrand evaluations N is similar to 1/N-0(.86) in the best cases and comparable to Monte Carlo scaling similar to 1/N-0.5 in the worst cases. We find a systematic improvement over Monte Carlo sampling by at least two orders of magnitude while using a basic form of model function. Finally, we compare QQMC results with calculations performed with the fork tensor product state (FTPS) method, a recently developed tensor network approach for solving impurity problems. Applying a simple Pade approximant for the series resummation, we find that QQMC matches the FTPS results beyond the perturbative regime.
机构:
CEA, CNRS, IPhT, URA 2306, F-91191 Gif Sur Yvette, France
Univ Paris 06, UMR CNRS 7600, LPTMC, F-75252 Paris, FranceUniv Grenoble Alpes, INAC SPSMS, F-38000 Grenoble, France
Messio, Laura
Parcollet, Olivier
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CEA, CNRS, IPhT, URA 2306, F-91191 Gif Sur Yvette, FranceUniv Grenoble Alpes, INAC SPSMS, F-38000 Grenoble, France
机构:
Univ Nacl Mar del Plata, Fac Ciencias Exactas & Nat, CONICET, Inst Invest Fis Mar del Plata, Funes 3350, RA-7600 Mar Del Plata, ArgentinaUniv Nacl Mar del Plata, Fac Ciencias Exactas & Nat, CONICET, Inst Invest Fis Mar del Plata, Funes 3350, RA-7600 Mar Del Plata, Argentina
Di Pietro Martinez, M.
Giuliano, M.
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Univ Nacl Mar del Plata, Fac Ciencias Exactas & Nat, CONICET, Inst Invest Fis Mar del Plata, Funes 3350, RA-7600 Mar Del Plata, ArgentinaUniv Nacl Mar del Plata, Fac Ciencias Exactas & Nat, CONICET, Inst Invest Fis Mar del Plata, Funes 3350, RA-7600 Mar Del Plata, Argentina
Giuliano, M.
Hoyuelos, M.
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机构:
Univ Nacl Mar del Plata, Fac Ciencias Exactas & Nat, CONICET, Inst Invest Fis Mar del Plata, Funes 3350, RA-7600 Mar Del Plata, ArgentinaUniv Nacl Mar del Plata, Fac Ciencias Exactas & Nat, CONICET, Inst Invest Fis Mar del Plata, Funes 3350, RA-7600 Mar Del Plata, Argentina