A Perturbative Method for Nonequilibrium Steady State of Open Quantum Systems

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.

Related papers

Tatsuro Yuge, Ayumu Sugita

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 $\mathcal{R}$ . Regarding the steady state of the Lindblad QME as the unperturbed solution, we perform a perturbative calculation with respect to $\mathcal{R}$ 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 $\mathcal{R}$. Regarding the steady state of the Lindblad QME as the unperturbed solution, we perform a perturbative calculation with respect to $\mathcal{R}$ 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.

arXiv:1409.0312Journal of the Physical Society of JapanDec 4, 20149 citations

Reduced density matrix for nonequilibrium steady states: A modified Redfield solution approach

Juzar Thingna, Jian‐Sheng Wang, Peter Hänggi A

We describe a method to obtain the reduced density matrix (RDM) correct up to second order in system-bath coupling in nonequilibrium steady-state situations. The RDM is obtained via a scheme based on analytic continuation, using the time-local Redfield-like quantum master equation, which was earlier used by the same authors [J. Chem. Phys. 136, 194110 (2012)] to obtain the correct thermal equilibrium description. This nonequilibrium modified Redfield solution is then corroborated with the exact RDM obtained via the nonequilibrium Green's function technique for the quantum harmonic oscillator. Lastly, the scheme is compared to different quantum master equations (QMEs), namely the time-local Redfield-like and the Lindblad-like QMEs, in order to illustrate the differences between each of these approaches.We describe a method to obtain the reduced density matrix (RDM) correct up to second order in system-bath coupling in nonequilibrium steady-state situations. The RDM is obtained via a scheme based on analytic continuation, using the time-local Redfield-like quantum master equation, which was earlier used by the same authors [J. Chem. Phys. 136, 194110 (2012)] to obtain the correct thermal equilibrium description. This nonequilibrium modified Redfield solution is then corroborated with the exact RDM obtained via the nonequilibrium Green's function technique for the quantum harmonic oscillator. Lastly, the scheme is compared to different quantum master equations (QMEs), namely the time-local Redfield-like and the Lindblad-like QMEs, in order to illustrate the differences between each of these approaches.

arXiv:1307.2512Physical Review ENov 20, 201360 citations

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

Archak Purkayastha, Abhishek Dhar, Manas Kulkarni

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.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.

arXiv:1511.03778Physical Review AJun 13, 2016121 citations

Open quantum systems: a comparison of Redfield and Lindblad approaches with exact results

Archak Purkayastha, Manas Kulkarni, Abhishek Dhar

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.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.

Nov 12, 20150 citations

Perturbative steady states of completely positive quantum master equations

Jae Sung Lee, Joonhyun Yeo

The Lindblad form guarantees complete positivity of a Markovian quantum master equation (QME). However, its microscopic derivation for a quantum system weakly interacting with a thermal bath requires several approximations, which may result in inaccuracies in the QME. Recently, various Lindbladian QMEs were derived without resorting to the secular approximation from the Redfield equation which does not guarantee the complete positivity. Here we explicitly calculate, in a perturbative manner, the equilibrium steady states of these Lindbladian QMEs. We compare the results with the steady state of the Redfield equation obtained from an analytic continuation method, which coincides with the so-called mean force Gibbs (MFG) state. The MFG state is obtained by integrating out the bath degrees of freedom for the Gibbs state of the total Hamiltonian. We explicitly show that the steady states of the Lindbladian QMEs are different from the MFG state. Our results indicate that manipulations of the Redfield equation needed to enforce complete positivity of a QME drives its steady state away from the MFG state. We also find that, in the high-temperature regime, both the steady states of the Lindbladian QMEs and MFG state reduce to the same Gibbs state of a system Hamiltonian under certain conditions.The Lindblad form guarantees complete positivity of a Markovian quantum master equation (QME). However, its microscopic derivation for a quantum system weakly interacting with a thermal bath requires several approximations, which may result in inaccuracies in the QME. Recently, various Lindbladian QMEs were derived without resorting to the secular approximation from the Redfield equation which does not guarantee the complete positivity. Here we explicitly calculate, in a perturbative manner, the equilibrium steady states of these Lindbladian QMEs. We compare the results with the steady state of the Redfield equation obtained from an analytic continuation method, which coincides with the so-called mean force Gibbs (MFG) state. The MFG state is obtained by integrating out the bath degrees of freedom for the Gibbs state of the total Hamiltonian. We explicitly show that the steady states of the Lindbladian QMEs are different from the MFG state. Our results indicate that manipulations of the Redfield equation needed to enforce complete positivity of a QME drives its steady state away from the MFG state. We also find that, in the high-temperature regime, both the steady states of the Lindbladian QMEs and MFG state reduce to the same Gibbs state of a system Hamiltonian under certain conditions.

arXiv:2207.03108Physical review. ENov 21, 202213 citations

Numerical Methods for Nonequilibrium Impurity Models

Feng Chen

Theoretical studies of electron and energy transport in nanostructures usually involve nonequilibrium quantum impurity models, which feature a locally interacting quantum system (impurity) coupled to noninteracting bosonic and/or electronic baths each at its own equilibrium. In these models, the interplay of strong correlation, nonequilibrium effects and dissipation leads to rich and complex phenomena. As a nonequilibrium strongly correlated many-body problem, these models, except at some rare cases, have no exact analytical solution, and hence their treatment heavily relies upon numerical techniques. The goal of this thesis is to develop numerically accurate and relatively low-cost techniques for treatment of strongly correlated open nonequilibirum quantum systems. Such impurity solvers are in high demand both as standalone methods for simulation of response in nanoscale junctions and as part of divide-and-conquer schemes such as dynamical mean field theory (DMFT).For nonequilibirum open quantum systems, two characteristic energy scales governing the physics are intra-system interactions and strength of the system-baths couplings. Thus, systems strongly coupled to their baths with weak intra-system interactions or weakly coupled systems with strong local interactions can be treated within developed perturbation theory approaches. My research focuses on development of nonequilibirum dual techniques, which are capable to accurately treat situations where perturbative techniques are inapplicable due to absence of a small parameter in the system and which reduce to standard perturbative expansions in the limits of weak coupling or weak intra-system interaction. \tDual techniques rely on ability to solve exactly a simplified reference system. The latter includes exactly all intra-system interactions and accounts approximately for system-bath couplings. Dual techniques (described below) allow to account for deviation from the correct hybridization function in a organized and controlled manner of superperturbative expansion. Here, I use Markovian Lindbald quantum master equation (QME) as a solver for the reference system. In the thesis I discuss possibility of mapping between true non-Markov dynamics and simpler Markov Lindblad QME (mapping between physical and reference systems), numerical methods for the mapping and for solution of the resulting Lindblad QME, and application of the mapping in novel dual formulations: auxiliary-QME dual fermion and dual boson approaches. \tFirst I analytically prove that the continuous fermionic baths that the impurity is coupled to can be mapped onto a set of dissipative auxiliary modes under Lindblad QME. Based on this mapping, complicated non-Markovian dynamics of the open fermionic system can be treated by a much simpler Markovian Lindblad QME. However, nice mapping generally requires many auxiliary modes, and numerically only a small number of modes can be exactly diagonalized due to exponential increase of the Hilbert space. To perturbatively treat the difference between the true bath and the small-size auxiliary one, we introduce dual-fermion method. It can directly target the steady state and avoid long-time propagation. Besides current-voltage relation, it can also provide spectral functions, indicating itself as a potential impurity solver for DMFT. Furthermore, we generalize dual-fermion method to consider additionally the effects of bosonic environment; hence it is called dual-boson method. It can be used for studying electron-phonon interaction and light-matter interaction in nanojunctions. By comparing with numerically exact results we argue that both methods are very accurate and relatively cheap. \tFinally, matrix product state representation of the Lindblad QME enables us to treat a large number of auxiliary modes, which provide an exponentially improved mapping. Adding counting field to the auxiliary QME, we can compute the generating function of time-dependent full-counting statistics of electron transport, which yields not only electronic current but also higher-order cumulants (e.g., zero-frequency noise).Theoretical studies of electron and energy transport in nanostructures usually involve nonequilibrium quantum impurity models, which feature a locally interacting quantum system (impurity) coupled to noninteracting bosonic and/or electronic baths each at its own equilibrium. In these models, the interplay of strong correlation, nonequilibrium effects and dissipation leads to rich and complex phenomena. As a nonequilibrium strongly correlated many-body problem, these models, except at some rare cases, have no exact analytical solution, and hence their treatment heavily relies upon numerical techniques. The goal of this thesis is to develop numerically accurate and relatively low-cost techniques for treatment of strongly correlated open nonequilibirum quantum systems. Such impurity solvers are in high demand both as standalone methods for simulation of response in nanoscale junctions and as part of divide-and-conquer schemes such as dynamical mean field theory (DMFT).For nonequilibirum open quantum systems, two characteristic energy scales governing the physics are intra-system interactions and strength of the system-baths couplings. Thus, systems strongly coupled to their baths with weak intra-system interactions or weakly coupled systems with strong local interactions can be treated within developed perturbation theory approaches. My research focuses on development of nonequilibirum dual techniques, which are capable to accurately treat situations where perturbative techniques are inapplicable due to absence of a small parameter in the system and which reduce to standard perturbative expansions in the limits of weak coupling or weak intra-system interaction. \tDual techniques rely on ability to solve exactly a simplified reference system. The latter includes exactly all intra-system interactions and accounts approximately for system-bath couplings. Dual techniques (described below) allow to account for deviation from the correct hybridization function in a organized and controlled manner of superperturbative expansion. Here, I use Markovian Lindbald quantum master equation (QME) as a solver for the reference system. In the thesis I discuss possibility of mapping between true non-Markov dynamics and simpler Markov Lindblad QME (mapping between physical and reference systems), numerical methods for the mapping and for solution of the resulting Lindblad QME, and application of the mapping in novel dual formulations: auxiliary-QME dual fermion and dual boson approaches. \tFirst I analytically prove that the continuous fermionic baths that the impurity is coupled to can be mapped onto a set of dissipative auxiliary modes under Lindblad QME. Based on this mapping, complicated non-Markovian dynamics of the open fermionic system can be treated by a much simpler Markovian Lindblad QME. However, nice mapping generally requires many auxiliary modes, and numerically only a small number of modes can be exactly diagonalized due to exponential increase of the Hilbert space. To perturbatively treat the difference between the true bath and the small-size auxiliary one, we introduce dual-fermion method. It can directly target the steady state and avoid long-time propagation. Besides current-voltage relation, it can also provide spectral functions, indicating itself as a potential impurity solver for DMFT. Furthermore, we generalize dual-fermion method to consider additionally the effects of bosonic environment; hence it is called dual-boson method. It can be used for studying electron-phonon interaction and light-matter interaction in nanojunctions. By comparing with numerically exact results we argue that both methods are very accurate and relatively cheap. \tFinally, matrix product state representation of the Lindblad QME enables us to treat a large number of auxiliary modes, which provide an exponentially improved mapping. Adding counting field to the auxiliary QME, we can compute the generating function of time-dependent full-counting statistics of electron transport, which yields not only electronic current but also higher-order cumulants (e.g., zero-frequency noise).

Jan 1, 20200 citations

\mathcal{R}

. Regarding the steady state of the Lindblad QME as the unperturbed solution, we perform a perturbative calculation with respect to

\mathcal{R}

\mathcal{R}

. Regarding the steady state of the Lindblad QME as the unperturbed solution, we perform a perturbative calculation with respect to

\mathcal{R}

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.