Quantum quasi Monte Carlo algorithm for out-of-equilibrium Green functions at long times

被引:14
作者
Bertrand, Corentin [1 ]
Bauernfeind, Daniel [1 ]
Dumitrescu, Philipp T. [1 ]
Macek, Marjan [2 ]
Waintal, Xavier [2 ]
Parcollet, Olivier [1 ,3 ]
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
关键词
RENORMALIZATION-GROUP; PADE APPROXIMANTS; SIMULATIONS; FERMIONS; NOISE;
D O I
10.1103/PhysRevB.103.155104
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
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.
引用
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页数:16
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