Time-evolution operator method for non-Markovian density matrix propagation in time and space representation: Application to laser association of OH in an environment
An efficient method for the numerical solution of a non-Markovian, open-system density matrix equation of motion in coordinate representation is developed. We apply the scheme to model simulations of the laser-assisted $\mathrm{O}+\mathrm{H}\ensuremath{\rightarrow}\mathrm{O}\mathrm{H}$ association reaction in an environment. The suggested approach is based on the application of the time-evolution operator to the ``closed-system'' part of the overall Hamiltonian and transformation of the open-system equation of motion to the Heisenberg picture suitable for numerical propagation. A dual role of the system-environment coupling with respect to the infrared (ir) laser-driven association of OH is demonstrated: the association probability is increased due to the coupling at relatively weak laser fields, but decreased at strong laser fields. Moreover, at a certain strength of the ir laser field, the association probability does not depend on the strength of the system-bath coupling at all.
An efficient method for the numerical solution of a non-Markovian, open-system density matrix equation of motion in coordinate representation is developed. We apply the scheme to model simulations of the laser-assisted O+H\ensuremath→OH association reaction in an environment. The suggested approach is based on the application of the time-evolution operator to the ``closed-system'' part of the overall Hamiltonian and transformation of the open-system equation of motion to the Heisenberg picture suitable for numerical propagation. A dual role of the system-environment coupling with respect to the infrared (ir) laser-driven association of OH is demonstrated: the association probability is increased due to the coupling at relatively weak laser fields, but decreased at strong laser fields. Moreover, at a certain strength of the ir laser field, the association probability does not depend on the strength of the system-bath coupling at all.
In order to model realistic quantum devices it is necessary to simulate quantum systems strongly coupled to their environment. To date, most understanding of open quantum systems is restricted either to weak system-bath couplings or to special cases where specific numerical techniques become effective. Here we present a general and yet exact numerical approach that efficiently describes the time evolution of a quantum system coupled to a non-Markovian harmonic environment. Our method relies on expressing the system state and its propagator as a matrix product state and operator, respectively, and using a singular value decomposition to compress the description of the state as time evolves. We demonstrate the power and flexibility of our approach by numerically identifying the localisation transition of the Ohmic spin-boson model, and considering a model with widely separated environmental timescales arising for a pair of spins embedded in a common environment.
Due to recent advances in quantum information, as well as in mesoscopic and nanoscale physics, the interest in the theory of open systems and decoherence has significantly increased. In this paper, we present an interesting approach to solving a time-convolutionless equation of motion for the open system reduced density matrix beyond the limit of weak coupling with the environment. Our approach is based on identifying an effective, memory-containing interaction in the equations of motion for the representation submatrices of the evolution operator (these submatices are written in a special basis, adapted for the ``partial-trace-free'' approach, in the system+environment Liouville space). We then identify the ``memory dressing,'' a quantity crucial for solving the equation of motion for the reduced density matrix, which separates the effective from the real physical interaction. The memory dressing obeys a self-contained nonlinear equation of motion, which we solve exactly. The solution can be represented in a diagrammatic fashion after introducing an ``information exchange propagator,'' a quantity that describes the transfer of information to and from the system, so the cumulative effect of the information exchange results in the memory dressing. In the case of weak system-environment coupling, we present the expansion of the reduced density matrix in terms of the physical interaction up to the third order. However, our approach is capable of going beyond the weak-coupling limit, and we show how short-time behavior of an open system can be analyzed for arbitrary coupling strength. We illustrate the approach with a simple numerical example of single-particle level broadening for a two-particle interacting system on short time scales. Furthermore, we point out a way to identify the structure of decoherence-free subspaces using the present approach.
Open quantum systems have drawn attention over decades due to its applicability in the foundation of theoretical physics, e.g. statistical mechanics, quantum mechanics and condensed matter physics. The dynamics of open quantum systems has been described as separate entities from their surrounding environment that consists of a very large number of modes, somehow coupled to the mode of the system. Even though the exact solution of the dynamical behavior of the system is impossible to calculate, we obtain a tentative solution using the crucial Markov approximation. The input-output formalism of the quantum Langevin equation (QLE) has been considered as a useful tool which provides a semi-classical description of the dynamics of the system, whereas the master equation provides a complete picture of the dynamics of the system expressed in terms of density matrix. While studying the dynamics of nonlinear system/environment coupling using QLE, we see, for a small value of external field, that the steady state system field does not change much from the steady state field obtained in the absence of nonlinear dissipation. However, in a case where a stronger external field is applied, we see that the deviation becomes substantial from the solution of linear system. We also see that the nonlinear coupling introduces significant difference in the cavity fluctuation spectrum. The description, therefore, provides a potential explanation of parametric effects in terms of nonlinear dissipation phenomena associated with the nonlinear coupling. Even though the theories developed in the context of open quantum systems have proven to be powerful tools, they do not provide a satisfactory platform to be implemented on non-linear Hamiltonians. We often approximate it by linearizing over nonlinear steady state field amplitude, and therefore, the interesting effects are often overlooked. The limitation of the analytics provokes us to simulate open quantum dynamics numerically. The numerical method consists of transformation of the environmental degrees of freedom to a one-dimensional many-body chain, and the computational technique includes numerical diagonalization and renormalization process. The time-adaptive density matrix renormalisation group (t-DMRG) is known as one of the most powerful techniques for the simulation of strongly-correlated many-body quantum systems. In this thesis, along with the theoretical modeling, we implement DMRG numerical scheme for the simulation of canonical S/B model by mapping it to one-dimensional harmonic chain with nearest neighbor interactions, and use the method to investigate the dynamics of the free dissipative system. The thermalization of open quantum systems is also studied by generating minimally entangled typical thermal states (METTS) through imaginary time evolution, and real-time evolving an empty system in the presence of the thermal bath. Further, we simulate coherently driven free dissipative Kerr nonlinear system numerically using Euler's method by solving Heisenberg equation of motion and t-DMRG algorithm, and demonstrate how the numerical results are analogous to classical bistability. By comparing with analytics, we see that the DMRG numerics is analogous to the quantum-mechanical exact solution obtained by mapping the equation of motion of the density matrix of the system to a Fokker-Plank equation. The comparison between two different numerical techniques shows that the semi-classical Euler's method determines the dynamics of the system field of one among two coherent branches, whereas DMRG numerics gives the superposition of both of them. Hence, DMRG-determined time dynamics undergoes generating non-classical states. Our approach of dealing with nonlinearity represents an important contribution in the developments of technique to study the dynamical and steady-state behavior of open quantum systems, which is a fundamental aspect of quantum physics.
We develop a general approach for monitoring and controlling evolution of open quantum systems. In contrast to the master equations describing time evolution of density operators, here, we formulate a dynamical equation for the evolution of the process matrix acting on a system. This equation is applicable to non-Markovian and/or strong-coupling regimes. We propose two distinct applications for this dynamical equation. We first demonstrate identification of quantum Hamiltonians generating dynamics of closed or open systems via performing process tomography. In particular, we argue how one can efficiently estimate certain classes of sparse Hamiltonians by performing partial tomography schemes. In addition, we introduce an optimal control theoretic setting for manipulating quantum dynamics of Hamiltonian systems, specifically for the task of decoherence suppression.
An original method to exactly solve the non-Markovian master equation describing the interaction of a single harmonic oscillator with a quantum environment in the weak-coupling limit is reported. By using a superoperatorial approach, we succeed in deriving the operatorial solution for the density matrix of the system. Our method is independent of the physical properties of the environment. We show the usefulness of our solution deriving explicit expressions for the dissipative time evolution of some observables of physical interest for the system, such as, for example, its mean energy.
Phase-space methods are powerful tools for the treatment of Markovian open quantum systems: they map the reduced dynamics of a system S, in interaction with an environment E, exactly onto Langevin equations for c-number stochastic variables, as opposed to Heisenberg-Langevin equations for operators. Langevin equations provide analytical insight in key regimes and excel at handling strong nonlinearities and couplings, where other methods often falter. Extending phase-space methods to non-Markovian dynamics, however, has remained a long-standing challenge. Here we address this gap by applying phase-space representations to the full S+E system; integrating out the environmental degrees of freedom then yields a general Langevin framework for S that incorporates both deterministic and stochastic contributions from E. Normally ordered representations, such as the Glauber-Sudarshan P representation and its positive variant due to Drummond and Gardiner, lead to Langevin equations in which (i) non-Markovian effects emerge exclusively in the deterministic terms, via a memory kernel, and (ii) noise contributions vanish when E is initially in the vacuum state. To demonstrate the power of this framework, we address the paradigmatic problem of delayed coherent feedback, in which the system is driven by its own past state, and study its impact on the laser linewidth: we recover the narrowing observed well above threshold and predict an enhanced narrowing just above it. Crucially, the number of stochastic variables scales linearly with the system size, making the framework suitable for problems ranging from a few degrees of freedom to genuinely many-body systems. This opens the way to the systematic study of non-Markovian driven-dissipative quantum systems using the same analytical and numerical tools that have long made phase-space methods so successful in the Markovian regime.