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Register a new userQuantum Quasi-Monte Carlo algorithm for out-of-equilibrium Green functions at long times
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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 multi-dimensional integrals involved and can potentially outperform Monte Carlo by several orders of magnitudes. 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 $sim 1/N^{0.86}$ in the best cases, and comparable to Monte Carlo scaling $sim 1/N^{0.5}$ 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.
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High order perturbation theory has seen an unexpected recent revival for controlled calculations of quantum many-body systems, even at strong coupling. We adapt integration methods using low-discrepancy sequences to this problem. They greatly outperform state-of-the-art diagrammatic Monte Carlo. In practical applications, we show speed-ups of several orders of magnitude with scaling as fast as $1/N$ in sample number $N$; parametrically faster than $1/sqrt{N}$ in Monte Carlo. We illustrate our technique with a solution of the Kondo ridge in quantum dots, where it allows large parameter sweeps.
We express the recently introduced real-time diagrammatic Quantum Monte Carlo, Phys. Rev. B 91, 245154 (2015), in the Larkin-Ovchinnikov basis in Keldysh space. Based on a perturbation expansion in the local interaction $U$, the special form of the interaction vertex allows to write diagrammatic rules in which vacuum Feynman diagrams directly vanish. This reproduces the main property of the previous algorithm, without the cost of the exponential sum over Keldysh indices. In an importance sampling procedure, this implies that only interaction times in the vicinity of the measurement time contribute. Such an algorithm can then directly address the long-time limit needed in the study of steady states in out-of-equilibrium systems. We then implement and discuss different variants of Monte Carlo algorithms in the Larkin-Ovchinnikov basis. A sign problem reappears, showing that the cancellation of vacuum diagrams has no direct impact on it.
By exploiting the analyticity and boundary value properties of the thermal Green functions that result from the KMS condition in both time and energy complex variables, we treat the general (non-perturbative) problem of recovering the thermal functions at real times from the corresponding functions at imaginary times, introduced as primary objects in the Matsubara formalism. The key property on which we rely is the fact that the Fourier transforms of the retarded and advanced functions in the energy variable have to be the `unique Carlsonian analytic interpolations of the Fourier coefficients of the imaginary-time correlator, the latter being taken at the discrete Matsubara imaginary energies, respectively in the upper and lower half-planes. Starting from the Fourier coefficients regarded as `data set, we then develop a method based on the Pollaczek polynomials for constructing explicitly their analytic interpolations.
We present a method for calculating the time-dependent many-body wavefunction that follows a local quench. We apply the method to the voltage-driven nonequilibrium Kondo model to find the exact time-evolving wavefunction following a quench where the dot is suddenly attached to the leads at $t=0$. The method, which does not use Bethe ansatz, also works in other quantum impurity models (we include results for the interacting resonant level and the Anderson impurity model) and may be of wider applicability. In the particular case of the Kondo model, we show that the long-time limit (with the system size taken to infinity first) of the time-evolving wavefunction is a current-carrying nonequilibrium steady state that satisfies the Lippmann-Schwinger equation. We show that the electric current in the time-evolving wavefunction is given by a series expression that can be expanded either in weak coupling or in strong coupling, converging to all orders in the steady-state limit in either case. The series agrees to leading order with known results in the well-studied regime of weak antiferromagnetic coupling and also reveals another universal regime of strong ferromagnetic coupling, with Kondo temperature $T_K^{(F)} = D e^{-frac{3pi^2}{8} rho |J|}$ ($J<0$, $rho|J|toinfty$). In this regime, the differential conductance $dI/dV$ reaches the unitarity limit $2e^2/h$ asymptotically at large voltage or temperature.
We propose a novel approach to nonequilibrium real-time dynamics of quantum impurities models coupled to biased non-interacting leads, such as those relevant to quantum transport in nanoscale molecular devices. The method is based on a Diagrammatic Monte Carlo sampling of the real-time perturbation theory along the Keldysh contour. We benchmark the method on a non-interacting resonant level model and, as a first non-trivial application, we study zero temperature non-equilibrium transport through a vibrating molecule.
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