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arXiv:1511.03778 · Physical Review A

Out-of-equilibrium open quantum systems: A comparison of approximate quantum master equation approaches with exact results

Archak Purkayastha, Abhishek Dhar, Manas Kulkarni

Published Jun 13, 2016• 121 citations
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Abstract

We present the Born-Markov approximated Redfield quantum master equation (RQME) description for an open system of noninteracting particles (bosons or fermions) on an arbitrary lattice of $N$ sites in any dimension and weakly connected to multiple reservoirs at different temperatures and chemical potentials. The RQME can be reduced to the Lindblad equation, of various forms, by making further approximations. By studying the $N=2$ case, we show that RQME gives results which agree with exact analytical results for steady-state properties and with exact numerics for time-dependent properties over a wide range of parameters. In comparison, the Lindblad equations have a limited domain of validity in nonequilibrium. We conclude that it is indeed justified to use microscopically derived full RQME to go beyond the limitations of Lindblad equations in out-of-equilibrium systems. We also derive closed-form analytical results for out-of-equilibrium time dynamics of two-point correlation functions. These results explicitly show the approach to steady state and thermalization. These results are experimentally relevant for cold atoms, cavity QED, and far-from-equilibrium quantum dot experiments.

DOI
10.1103/physreva.93.062114

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We present the Born-Markov approximated Redfield quantum master equation (RQME) description for an open system of noninteracting particles (bosons or fermions) on an arbitrary lattice of NNN sites in any dimension and weakly connected to multiple reservoirs at different temperatures and chemical potentials. The RQME can be reduced to the Lindblad equation, of various forms, by making further approximations. By studying the N=2N=2N=2 case, we show that RQME gives results which agree with exact analytical results for steady-state properties and with exact numerics for time-dependent properties over a wide range of parameters. In comparison, the Lindblad equations have a limited domain of validity in nonequilibrium. We conclude that it is indeed justified to use microscopically derived full RQME to go beyond the limitations of Lindblad equations in out-of-equilibrium systems. We also derive closed-form analytical results for out-of-equilibrium time dynamics of two-point correlation functions. These results explicitly show the approach to steady state and thermalization. These results are experimentally relevant for cold atoms, cavity QED, and far-from-equilibrium quantum dot experiments.
We present the Redfield quantum master equation (RQME) description for an open system of non-interacting particles (bosons or fermions) on an arbitrary lattice of N sites in any dimension and connected to multiple reservoirs at different temperatures and chemical potentials. For the N=2 case, we show that RQME gives results which agree with exact analytical results for steady state properties and with exact numerics for time-dependent properties. In comparision, we show that the Lindblad equation approach has a limited domain of validity. These results can be experimentally relevant for cold atoms, cavity QED and far-from-equilibrium quantum dot experiments.
Away from equilibrium, the properties of open quantum systems depend on the details of their environment. A microscopic derivation of a master equation (ME) is therefore crucial. Of particular interest are Lindblad-type equations, not only because they provide the most general class of Markovian MEs, but also since they are the starting point for efficient quantum trajectory simulations. Lindblad-type MEs are commonly derived from the Born-Markov-Redfield equation via a rotating-wave approximation (RWA). However the RWA is valid only for ultraweak system-bath coupling and often fails to accurately describe nonequilibrium processes. Here we derive an alternative Lindbladian approximation to the Redfield equation, which does not rely on ultraweak system-bath coupling. Applying it to an extended Hubbard model coupled to Ohmic baths, we show that, especially away from equilibrium, it provides a good approximation in large parameter regimes where the RWA fails.
We develop a method of calculating the nonequilibrium steady state (NESS) of an open quantum system that is weakly coupled to reservoirs in different equilibrium states. We describe the system using a Redfield-type quantum master equation (QME). We decompose the Redfield QME into a Lindblad-type QME and the remaining part R\mathcal{R}R. Regarding the steady state of the Lindblad QME as the unperturbed solution, we perform a perturbative calculation with respect to R\mathcal{R}R to obtain the NESS of the Redfield QME. The NESS thus determined is exact up to the first order in the system-reservoir coupling strength (pump/loss rate), which is the same as the order of validity of the QME. An advantage of the proposed method in numerical computation is its applicability to systems larger than those in methods of directly solving the original Redfield QME. We apply the method to a noninteracting fermion system to obtain an analytical expression of the NESS density matrix. We also numerically demonstrate the method in a nonequilibrium quantum spin chain.
We develop a method of calculating the nonequilibrium steady state (NESS) of an open quantum system that is weakly coupled to reservoirs in different equilibrium states. We describe the system using a Redfield-type quantum master equation (QME). We decompose the Redfield QME into a Lindblad-type QME and the remaining part R\mathcal{R}R. Regarding the steady state of the Lindblad QME as the unperturbed solution, we perform a perturbative calculation with respect to R\mathcal{R}R to obtain the NESS of the Redfield QME. The NESS thus determined is exact up to the first order in the system-reservoir coupling strength (pump/loss rate), which is the same as the order of validity of the QME. An advantage of the proposed method in numerical computation is its applicability to systems larger than those in methods of directly solving the original Redfield QME. We apply the method to a noninteracting fermion system to obtain an analytical expression of the NESS density matrix. We also numerically demonstrate the method in a nonequilibrium quantum spin chain.
Abstract We introduce a systematic approximation for an efficient evaluation of Born–Markov master equations for steady state transport studies in open quantum systems out of equilibrium: the energy resolved master equation approach. The master equation is formulated in the eigenbasis of the open quantum system and build successively by including eigenstates with increasing grandcanonical energies. In order to quantify convergence of the approximate scheme we introduce quality factors to check preservation of trace, positivity and hermiticity. Furthermore, we discuss different types of master equations that go beyond the commonly used secular approximation in order to resolve coherences between quasi-degenerate states. For the discussion of complete positivity we introduce a canonical Redfield–Bloch master equation and compare it to a previously derived master equations in Lindblad form with and without using the secular approximation. The approximate scheme is benchmarked for a six orbital quantum system which shows destructive quantum interference under the application of a bias voltage. The energy resolved master equation approach presented here makes quantum transport calculations in many-body quantum systems numerically accessible also beyond six orbitals with a full Hilbert space of the order of ∼106.
We put forth a new class of quantum master equations that correctly reproduce the asymptotic state of an open quantum system beyond the infinitesimally weak system-bath coupling limit. Our method is based on incorporating the knowledge of the reduced steady state into its dynamics. The correction not only steers the reduced system toward a correct steady state but also improves the accuracy of the dynamics, thereby refining the archetypal Born-Markov weak-coupling second-order master equations. In case of equilibrium, we use the exact mean-force Gibbs state to correct the Redfield quantum master equation. By benchmarking it with the exact solution of the damped harmonic oscillator, we show that our method also helps correct the long-standing issue of positivity violation, albeit without complete positivity. Our method of a canonically consistent quantum master equation opens a new perspective in the theory of open quantum systems leading to a reduced density matrix accurate beyond the commonly used Redfield and Lindblad equations, while retaining the same conceptual and numerical complexity.