We develop analytical tools and numerical methods for time evolving the total density matrix of the finite-size Anderson model. The model is composed of two finite metal grains, each prepared in canonical states of differing chemical potential and connected through a single electronic level (quantum dot or impurity). Coulomb interactions are either excluded all together or allowed on the dot only. We extend this basic model to emulate decohering and inelastic scattering processes for the dot electrons with the probe technique. Three methods, originally developed to treat impurity dynamics, are augmented to yield global system dynamics: the quantum Langevin equation method, the well-known fermionic trace formula and an iterative path integral approach. The latter accommodates interactions on the dot in a numerically exact fashion. We apply the developed techniques to two open topics in nonequilibrium many-body physics. (i) We explore the role of many-body electron–electron repulsion effects on the dynamics of the system. Results, obtained using exact path integral simulations, are compared with mean-field quantum Langevin equation predictions. (ii) We analyze aspects of quantum equilibration and thermalization in large quantum systems using the probe technique, mimicking elastic-dephasing effects and inelastic interactions on the dot. Here, unitary simulations based on the fermionic trace formula are accompanied by quantum Langevin equation calculations.
We develop analytical tools and numerical methods for time evolving the total density matrix of the finite-size Anderson model. The model is composed of two finite metal grains, each prepared in canonical states of differing chemical potential and connected through a single electronic level (quantum dot or impurity). Coulomb interactions are either excluded all together or allowed on the dot only. We extend this basic model to emulate decohering and inelastic scattering processes for the dot electrons with the probe technique. Three methods, originally developed to treat impurity dynamics, are augmented to yield global system dynamics: the quantum Langevin equation method, the well-known fermionic trace formula and an iterative path integral approach. The latter accommodates interactions on the dot in a numerically exact fashion. We apply the developed techniques to two open topics in nonequilibrium many-body physics. (i) We explore the role of many-body electron–electron repulsion effects on the dynamics of the system. Results, obtained using exact path integral simulations, are compared with mean-field quantum Langevin equation predictions. (ii) We analyze aspects of quantum equilibration and thermalization in large quantum systems using the probe technique, mimicking elastic-dephasing effects and inelastic interactions on the dot. Here, unitary simulations based on the fermionic trace formula are accompanied by quantum Langevin equation calculations.
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 consider a model consisting of a finite number of quantum dots each of which confines a spinless electron. We zoom in on a single quantum dot containing an electron of interest treating it as being strongly coupled to the surrounding finite bath of electrons. The fermionic bath is embedded in a bosonic Markovian bath. The master equation for the fermion of interest interacting with the fermionic bath is derived. Based on the master equation for this system, the reduced dynamics and thermalization of the spinless electron is studied. We start with a description of the Hamiltonian of the entire system which we call total Hamiltonian. Because the electron of interest is strongly coupled to the surrounding fermionic bath, we treat the Hamiltonian consisting of the electron of interest, the fermionic bath and the interaction between them as the system Hamiltonian. Then using techniques of linear algebra, we diagolize the system Hamiltonian making it appear in what we are calling quasi-fermionic picture. After this, we take the diagonalized system Hamiltonian back to the total Hamiltonian. We then use this total Hamiltonian to switch to the interaction picture. Since the general expression of the Markovian quantum master equation is in terms of the interaction Hamiltonian, we now substitute our interaction Hamiltonian into it and begin from there to derive the quantum master equation of our system. In the next step, we solve the derived quantum master equation casting the solution in Kraus representation. Using the explicit form of the Kraus operators and initial conditions, the density matrix of the reduced system is obtained in the quasifermionic picture. We then transform to the original fermionic picture and trace out the fermionic bath coming out with the density matrix of the electron of interest. We then check the normalization of the density matrix of the electron of interest by calculating the trace and then use it to calculate the mean number of fermions. The mean number of fermions is then plotted against time for different coupling strengths and varying numbers of fermions in the fermionic bath to visually check the dynamics and thermalization of the fermion of interest.
The paper addresses the many-body quasiparticle dynamics of the Anderson impurity model at finite temperatures in the framework of the equation-of-motion method. We find a new exact identity relating the one-particle and many-particle Green’s functions. Using this identity we present a consistent and general scheme for a construction of generalized mean fields (elastic scattering corrections) and self-energy (inelastic scattering) in terms of Dyson equation. A new approach for the complex expansion for the single-particle propagator in terms of Coulomb repulsion U and hybridization V is proposed. Using the exact identity, the essentially new many-body dynamical solution of SIAM has been derived. This approach offers a new way for the systematic construction of the approximative interpolating dynamical solutions of the strongly correlated electron systems.
We develop an iterative, numerically exact approach for the treatment of nonequilibrium quantum transport and dissipation problems that avoids the real-time sign problem associated with standard Monte Carlo techniques. The method requires a well-defined decorrelation time of the nonlocal influence functional for proper convergence to the exact limit. Since finite decorrelation times may arise either from temperature or from a voltage drop at zero temperature, the approach is well suited for the description of the real-time dynamics of single-molecule devices and quantum dots driven to a steady state via interaction with two or more electron leads. We numerically investigate two nontrivial models: the evolution of the nonequilibrium population of a two-level system coupled to two electronic reservoirs, and quantum transport in the nonequilibrium Anderson model. For the latter case, two distinct formulations are described. Results are compared to those obtained by other techniques.
We introduce a new approach for calculating quantum time-correlation functions and time-dependent expectation values in many-body thermal systems; both electronically adiabatic and non-adiabatic cases can be treated. Our approach uses a path integral simulation to sample an initial thermal density matrix; subsequent evolution of this density matrix is equivalent to solution of the time-dependent Schrödinger equation, which we perform using a linear expansion of Gaussian wavepacket basis functions which evolve according to simple classical-like trajectories. Overall, this methodology represents a formally exact approach for calculating time-dependent quantum properties; by introducing approximations into both the imaginary-time and real-time propagations, this approach can be adapted for complex many-particle systems interacting through arbitrary potentials. We demonstrate this method for the spin Boson model, where we find good agreement with numerically exact calculations. We also discuss future directions of improvement for our approach with a view to improving accuracy and efficiency.
Memory effects play a key role in the dynamics of strongly correlated systems driven out of equilibrium. In this paper, we explore the nature of memory in the nonequilibrium Anderson impurity model. The Nakajima-Zwanzig-Mori formalism is used to derive an exact generalized quantum master equation for the reduced density matrix of the interacting quantum dot, which includes a non-Markovian memory kernel. A real-time path integral formulation is developed in which all diagrams are stochastically sampled in order to numerically evaluate the memory kernel. We explore the effects of temperature down to the Kondo regime, as well as the role of source-drain-bias voltage and bandwidth on the memory. Typically, the memory decays on time scales significantly shorter than the dynamics of the reduced density matrix itself, yet under certain conditions, it develops a low magnitude but long-ranged tail. In addition, we address the conditions required for the existence, uniqueness, and stability of a steady state.