In this paper, we present an extended dissipaton equation of motion for studying the dynamics of electronic impurity systems. Compared with the original theoretical formalism, the quadratic couplings are introduced into the Hamiltonian accounting for the interaction between the impurity and its surrounding environment. By exploiting the quadratic fermionic dissipaton algebra, the proposed extended dissipaton equation of motion offers a powerful tool for studying the dynamical behaviors of electronic impurity systems, particularly in situations where nonequilibrium and strongly correlated effects play significant roles. Numerical demonstrations are carried out to investigate the temperature dependence of the Kondo resonance in the Kondo impurity model.
In this paper, we present an extended dissipaton equation of motion for studying the dynamics of electronic impurity systems. Compared with the original theoretical formalism, the quadratic couplings are introduced into the Hamiltonian accounting for the interaction between the impurity and its surrounding environment. By exploiting the quadratic fermionic dissipaton algebra, the proposed extended dissipaton equation of motion offers a powerful tool for studying the dynamical behaviors of electronic impurity systems, particularly in situations where nonequilibrium and strongly correlated effects play significant roles. Numerical demonstrations are carried out to investigate the temperature dependence of the Kondo resonance in the Kondo impurity model.
In recent years, nano-sized systems involving local charge or spin states have received wide interests because of their potential application in emerging fields such as quantum information and quantum computation. For instance, organometallic molecular complexes may serve as building blocks of quantum storage devices, because the spin-unpaired d or f electrons at transition metal centers may be employed to construct spin qubits. Moreover, if the system contains strong electron-electron interaction, the involving local quantum states are subject to prominent electron correlation effects (such as the Kondo effect). Theoretically, spatially confined nano-systems are often described by quantum impurity models. Thus the accurate prediction of the intrinsic properties of quantum impurity systems and the deep understanding on the response and evolution of local quantum states under external fields or in dissipative environment are fundamentally important for the design and fabrication of quantum devices. The accurate characterization of quantum coherence, correlation, and entanglement in quantum impurity systems remains a great challenge. Enormous efforts have been made to achieve this goal. A variety of theoretical methods have been developed, including the numerical renormalization group method, the quantum Monte Carlo method, and many others. However, all the existing methods are subject to certain limitations regarding accuracy or efficiency. Therefore, we choose to view this problem from a new perspective—the perspective of open quantum systems. Over the past decade, we have developed a formally exact quantum dissipation theory, the hierarchical equations of motion (HEOM) theory, for fermionic open systems. The HEOM theory captures the combined effects of system-environment dissipation, many-body interaction, and non-Markovian memory in a nonperturbative manner. It is capable of addressing static and dynamic responses of system observables in both equilibrium and nonequilibrium situations. We have implemented the HEOM method in our self-designed computer program HEOM-QUICK. We have also devised a series of advanced algorithms which substantially enhance the numerical efficiency of HEOM. The HEOM-QUICK program thus provides an accurate, efficient, and versatile theoretical tool for the investigation of strongly correlated quantum impurity systems. We have applied the HEOM method to study a variety of problems associated with quantum impurity systems. These include the intrinsic properties of quantum impurity models and lattice models, the transient current response of quantum dots to ac voltages, the thermopower and local heating effect in nonequilibrium quantum dots, and the tuning of local spin states in adsorbed molecular magnets. In particular, the HEOM method has been combined with density functional theory (DFT) method, and thus allows for first-principles-based simulation on the precise tuning of local spin states in adsorbed magnetic molecules. Numerical simulations have discovered or reproduced many important quantum phenomena that are essential for relevant experiments, including the Kondo effect, Mott metal-insulator transition, quantum memristive effect, etc. This paper gives a brief overview of our development of the HEOM method for fermionic open systems, as well as its applications to various strongly correlated quantum impurity systems.
Understanding the time evolution of strongly correlated open quantum systems (OQSs) in response to perturbations (quenches) is of fundamental importance to the precise control of quantum devices. It is, however, rather challenging in multi-impurity quantum systems because such evolution often involves multiple intricate dynamical processes. In this work, we apply the numerically exact hierarchical equations of motion approach to explore the influence of two different types of perturbations, i.e., sudden swapping of the energy levels of impurity systems and activating the inter-impurity spin-exchange interaction, on the dissipation dynamics of the Kondo-correlated two-impurity Anderson model over a wide range of energetic parameters. By evaluating the time-dependent impurity spectral function and other system properties, we analyze the time evolution of the Kondo state in detail and conclude a phenomenologically scaling relation for Kondo dynamics driven by these perturbations. The evolutionary scaling relationship is not only related to the Kondo characteristic energy TK but also significantly affected by the simultaneous non-Kondo dynamic characteristic energy. We expect these results will inspire subsequent theoretical studies on the dynamics of strongly correlated OQSs.
We study the real-time dynamics of the Kondo effect after a quantum quench in which a magnetic impurity is coupled to two metallic Hubbard chains. Using an effective field theory approach, we find that for noninteracting electrons the charge current across the impurity is given by a scaling function that involves the Kondo time. In the interacting case, we show that the Kondo time decreases with the strength of the repulsive interaction and the time dependence of the current reveals signatures of the Kondo effect in a Luttinger liquid. In addition, we verify that the relaxation of the impurity magnetization does not exhibit universal scaling behavior in the perturbative regime below the Kondo time. Our results highlight the role of nonequilibrium dynamics as a valuable tool in the study of quantum impurities in interacting systems.
A hierarchical equations of motion based numerical approach is developed for accurate and efficient evaluation of dynamical observables of strongly correlated quantum impurity systems. This approach is capable of describing quantitatively Kondo resonance and Fermi-liquid characteristics, achieving the accuracy of the latest high-level numerical renormalization group approach, as demonstrated on single-impurity Anderson model systems. Its application to a two-impurity Anderson model results in differential conductance versus external bias, which correctly reproduces the continuous transition from Kondo states of individual impurity to singlet spin states formed between two impurities. The outstanding performance on characterizing both equilibrium and nonequilibrium properties of quantum impurity systems makes the hierarchical equations of motion approach potentially useful for addressing strongly correlated lattice systems in the framework of dynamical mean-field theory.
The dissipaton equations of motion (DEOM) method is one of the most popular methods for simulating quantum impurity systems. In this article, we use DOEM theory to deal with the Kondo problem of the double quantum dots (DQDs) impurity system. We focus on the impurity spectral function and the total noise spectral function, this two function will be used to describe the Kondo effect of this system. The influence of the interaction, the hooping and the difference of the chemical potential between the two dots on the Kondo effect of the system is studied. We find that the interaction between the two dots can influence the Kondo effect of the system a lot.
We investigate the time-dependent transport properties of single and double quantum-impurity systems based on the hierarchical equations of motion (HEOM) approach. In the Kondo regime, the dynamical current oscillates with time in both cases due to the temporal coherence of electrons tunneling through the device, which shares the same mechanism as the single-level resonance without e–e interactions, but shows some different characteristics. For single quantum-impurity systems, the temperature T has an inhibitory effect on the oscillations of dynamic current through its suppression of the Kondo effects. The amplitude of the current oscillations is attenuated by the e–e interaction U in the Kondo regime. The frequency of the current oscillations is found almost independent of T and U . For parallel-coupling double quantum-impurity systems, the oscillation of the current shows similar behavior to the single one, but with two-to-three times larger amplitudes. At the limit of small inter-impurity coupling the oscillation of the current exhibits enhanced characters, while it is weakened at the other limit.