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arXiv:1510.06945 · Physical Review B

Quench dynamics of Anderson impurity model using configuration interaction method

Chungwei Lin, Alexander A. Demkov

Published Oct 20, 2015• 7 citations
arXivHTMLPDF

Abstract

We study the quench dynamics of an Anderson impurity model using the configuration interaction (CI) method. In particular, we focus on the relaxation behavior of the impurity occupation. The system is found to behave very differently in the weak-coupling and strong-coupling regimes. In the weak-coupling regime, the impurity occupation relaxes to a time-independent constant quickly after only a few oscillations. In the strong-coupling regime, the impurity occupation develops a fast oscillation, with a much slower relaxation. We show that it is the multipeak structure in the many-body energy spectrum that separates these two regimes. The characteristic behavior, including the power-law decay and the period of oscillation, can also be related to certain features in the many-body energy spectrum. The respective advantages of several impurity solvers are discussed, and the convergence of different CI truncation schemes is provided.

DOI
10.1103/physrevb.92.155135

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We study the quench dynamics of an Anderson impurity model using the configuration interaction (CI) method. In particular, we focus on the relaxation behavior of the impurity occupation. The system is found to behave very differently in the weak-coupling and strong-coupling regimes. In the weak-coupling regime, the impurity occupation relaxes to a time-independent constant quickly after only a few oscillations. In the strong-coupling regime, the impurity occupation develops a fast oscillation, with a much slower relaxation. We show that it is the multipeak structure in the many-body energy spectrum that separates these two regimes. The characteristic behavior, including the power-law decay and the period of oscillation, can also be related to certain features in the many-body energy spectrum. The respective advantages of several impurity solvers are discussed, and the convergence of different CI truncation schemes is provided.
We present a method to study the time evolution of the single impurity Anderson model which exploits a mean field decoupling of the interacting impurity and the non-interacting bath (in form of a chain). This is achieved by the introduction of a pair of auxiliary Majorana fermions between the impurity and the chain. After decoupling, we obtain a self-consistent set of equations for the impurity and chain. First, we study the behavior of the system in equilibrium at zero temperature. We obtain a phase transition as a function of the interaction at the impurity and the coupling between the impurity and the chain between the Kondo regime, where the mean field parameters are zero and, hence, we have a well-defined spin at the impurity, to a phase where mean field parameters acquire finite values leading to a screening of the impurity spin by conduction bath electrons. In the latter case, we observe charge and spin fluctuations at the impurity site. Starting from this equilibrium ground state at zero temperature we quench in the interaction strength at the impurity and/or the hybridization strength between the impurity and the chain and study the time evolution of the system. We find that for quenches to weak to intermediate coupling the system converges to the equilibrium state defined by the final set of parameters after the quench. We analyze the oscillation frequency and as well as the thermalization rate during this quench. A quench to a strong interaction value results in persistent oscillations and a trapping of the system in a non-thermal state. We speculate that these two regimes of different long-time behavior are separated by a dynamical phase transition.
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Critical properties of the dynamical phase transition in the quenched generalized Bose-Anderson impurity model are studied in the mean-field limit of an infinite number of channels. The transition separates the evolution toward ground state and toward the branch of stable excited states. We perform numerically exact simulations of a close vicinity of the critical quench amplitude. The relaxation constant describing the asymptotic evolution toward ground state, as well as asymptotic frequency of persistent phase rotation and number of cloud particles at stable excited state are power functions of the detuning from the critical quench amplitude. The critical evolution (separatrix between the two regimes) shows a non-Lyapunov power-law instability arising after a certain critical time. The observed critical behavior is attributed to the irreversibility of the dynamics of particles leaving the cloud and to memory effects related to the low-energy behavior of the lattice density of states.
We consider the dynamics of an impurity atom immersed in an ideal Fermi gas at zero temperature. We focus on the coherent quantum evolution of the impurity following a quench to strong impurity-fermion interactions, where the interactions are assumed to be short range like in cold-atom experiments. To approximately model the many-body time evolution, we use a truncated basis method, where at most two particle-hole excitations of the Fermi sea are included. When the system is initially noninteracting, we show that our method exactly captures the short-time dynamics following the quench, and we find that the overlap between initial and final states displays a universal nonanalytic dependence on time in this limit. We further demonstrate how our method can be used to compute the impurity spectral function, as well as describe many-body phenomena involving coupled impurity spin states, such as Rabi oscillations in a medium or highly engineered quantum quenches.
We study the interacting, symmetrically coupled single impurity Anderson model. By employing the nonequilibrium Green's function formalism, we reach an exact relationship between the steady-state charge current flowing through the impurity (dot) and its occupation. We argue that the steady-state current-occupation relation can be used to assess the consistency of simulation techniques and identify spurious transport phenomena. We test this relation in two different model variants: First, we study the Anderson-Holstein model in the strong electron-vibration coupling limit using the polaronic quantum master equation method. We find that the current-occupation relation is violated numerically in standard calculations, with simulations bringing up incorrect transport effects. Using a numerical procedure, we resolve the problem efficiently. Second, we simulate the Anderson model with electron-electron interaction on the dot using a deterministic numerically exact time-evolution scheme. Here, we observe that the current-occupation relation is satisfied in the steady-state limit-even before results converge to the exact limit.
We use nonequilibrium dynamical mean-field theory in combination with a recently developed Quantum Monte Carlo impurity solver to study the real-time dynamics of a Hubbard model which is driven out of equilibrium by a sudden increase in the on-site repulsion UUU. We discuss the implementation of the self-consistency procedure and some important technical improvements of the QMC method. The exact numerical solution is compared to iterated perturbation theory, which is found to produce accurate results only for weak interaction or short times. Furthermore, we calculate the spectral functions and the optical conductivity from a Fourier transform on the finite Keldysh contour, for which the numerically accessible time scales allow to resolve the formation of Hubbard bands and a gap in the strongly interacting regime. The spectral function, and all one-particle quantities that can be calculated from it, thermalize rapidly at the transition between qualitatively different weak- and strong-coupling relaxation regimes.