We extend the general formalism discussed in the previous paper [A. B. Culver and N. Andrei, Phys. Rev. B 103, 195106 (2021)] to two models with charge fluctuations: the interacting resonant level model and the Anderson impurity model. In the interacting resonant level model, we find the exact time-evolving wavefunction and calculate the steady state impurity occupancy to leading order in the interaction. In the Anderson impurity model, we find the nonequilibrium steady state for small or large Coulomb repulsion $U$, and we find that the steady state current to leading order in $U$ agrees with a Keldysh perturbation theory calculation.
We present here the details of a method [A. B. Culver and N. Andrei, Phys. Rev. B 103, L201103 (2021)] for calculating the time-dependent many-body wavefunction that follows a local quench. We apply the method to the voltage-driven nonequilibrium Kondo model to find the exact time-evolving wavefunction following a quench where the dot is suddenly attached to the leads at $t=0$. The method, which does not use Bethe ansatz, also works in other quantum impurity models and may be of wider applicability. We show that the long-time limit (with the system size taken to infinity first) of the time-evo…
We present a method for calculating the time-dependent many-body wavefunction that follows a local quench. We apply the method to the voltage-driven nonequilibrium Kondo model to find the exact time-evolving wavefunction following a quench where the dot is suddenly attached to the leads at $t=0$. The method, which does not use Bethe ansatz, also works in other quantum impurity models (we include results for the interacting resonant level and the Anderson impurity model) and may be of wider applicability. In the particular case of the Kondo model, we show that the long-time limit (with the syst…
We generalize the recently developed inchworm quantum Monte Carlo method to the full Keldysh contour with forward, backward, and equilibrium branches to describe the dynamics of strongly correlated impurity problems with time dependent parameters. We introduce a method to compute Green's functions, spectral functions, and currents for inchworm Monte Carlo and show how systematic error assessments in real time can be obtained. We then illustrate the capabilities of the algorithm with a study of the behavior of quantum impurities after an instantaneous voltage quench from a thermal equilibrium s…
It is shown that in resistive nanowires out of equilibrium containing either single- or two-channel Kondo impurities the distribution function $f(E,U)$ obeys scaling behavior in terms of the quasiparticle energy $E$ and the bias voltage $U$. The numerically calculated $f(E,U)$ curves explain quantitatively recent experiments on Cu and Au nanowires. The systematics of the impurity concentration c_{imp} extracted from the comparison between theory and results on various Cu and Au samples strongly suggests that in these systems the scaling arises from magnetic Kondo impurities.
In this work we analyze the nonequilibrium transport through a quantum impurity (quantum dot or molecule) attached to ferromagnetic leads by using a hybrid numerical renormalization group-time-dependent density matrix renormalization group thermofield quench approach.For this, we study the bias dependence of the differential conductance through the system, which shows a finite zero-bias peak, characteristic of the Kondo resonance and reminiscent of the equilibrium local density of states. In the non-equilibrium settings, the resonance in the differential conductance is also found to decrease w…
By combining the Baeriswyl wavefunction with equilibrium and time-dependent variational principles, we develop a non-equilibrium formalism to study quantum quenches for two dimensional spinless fermions with nearest-neighbour hopping and repulsion. The variational ground state energy and the short time dynamics agree convincingly with the results of numerically exact simulations. We find that depending on the initial and final interaction strength, the quenched system either exhibits undamped oscillations or relaxes to a time independent steady state. The time averaged expectation value of the…
We present a numerical method for the study of correlated quantum impurity problems out of equilibrium, which is particularly suited to address steady state properties within Dynamical Mean Field Theory. The approach, recently introduced in [Arrigoni et al., Phys. Rev. Lett. 110, 086403 (2013)], is based upon a mapping of the original impurity problem onto an auxiliary open quantum system, consisting of the interacting impurity coupled to bath sites as well as to a Markovian environment. The dynamics of the auxiliary system is governed by a Lindblad master equation whose parameters are used to…
Nonequilibrium steady-state currents, unlike their equilibrium counterparts, continuously dissipate energy into their physical surroundings leading to entropy production and time-reversal symmetry breaking. This letter discusses these issues in the context of quantum impurity models driven out of equilibrium by attaching the impurity to leads at different chemical potentials and temperatures. We start by pointing out that entropy production is often hidden in traditional treatments of quantum-impurity models. We then use simple thermodynamic arguments to define the rate of entropy production. …
Site-occupation embedding theory (SOET) is an in-principle-exact multi-determinantal extension of density-functional theory for model Hamiltonians. Various extensions of recent developments in SOET [Senjean et al., Phys. Rev. B 97, 235105 (2018)] are explored in this work. An important step forward is the generalization of the theory to multiple impurity sites. We also propose a new single-impurity density-functional approximation (DFA) where the density-functional impurity correlation energy of the two-level (2L) Hubbard system is combined with the Bethe ansatz local density approximation (BA…
We investigate the equilibrium and real-time properties of the spin correlation function $\langle \vec{S}_1\vec{S}_2 \rangle$ in the two-impurity Kondo model for different distances $R$ between the two-impurity spins. It is shown that the competition between the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction and the Kondo effect governs the amplitude of $\langle \vec{S}_1\vec{S}_2 \rangle$. For distances $R$ exceeding the Kondo length scale, the Kondo effect also has a profound effect on the sign of the correlation function. For ferromagnetic Heisenberg couplings $J$ between the impurities a…
In recent experiments the non-equilibrium distribution function $f(E,U)$ in diffusive Cu and Au quantum wires at a transport voltage $U$ shows scaling behavior, $f(E,U)=f(E/eU)$, indicating a non-Fermi liquid interaction with {\it non-vanishing} T=0 scattering rate. The two-channel Kondo (2CK) effect, possibly produced by degenerate two-level systems, is known to exhibit such behavior. Generalizing the auxiliary boson method to non-equilibrium, we calculate $f(E,U)$ in the presence of 2CK impurities. We show that the 2CK equations reproduce the scaling form $f(E/eU)$. For all measured samples …
A single static magnetic impurity in a fully-gapped superconductor leads to formation of an intragap quasiparticle bound state. At temperatures much below the superconducting transition, the energy relaxation and spin dephasing of the state are expected to be exponentially suppressed. The presence of such a state can be detected in electron tunneling experiments as a pair of conductance peaks at positive and negative biases. Here we show, that for an arbitrarily weak tunneling strength, the peaks have to be symmetric with respect to the applied bias. This is in contrast to the standard result …
We propose a novel approach to nonequilibrium real-time dynamics of quantum impurities models coupled to biased non-interacting leads, such as those relevant to quantum transport in nanoscale molecular devices. The method is based on a Diagrammatic Monte Carlo sampling of the real-time perturbation theory along the Keldysh contour. We benchmark the method on a non-interacting resonant level model and, as a first non-trivial application, we study zero temperature non-equilibrium transport through a vibrating molecule.
The most important feature of two-dimensional quantum Rokhsar-Kivelson (RK) type models is that their ground state wavefunction norms can be mapped into the partition functions of two-dimensional statistical models so that the quantum phase transitions become the thermal phase transitions of the corresponding statistical models. For a generic quantum critical point, we generalize the framework of RK wavefunctions by introducing the concept of the thermofield double (TFD) state, which is a purification of the equilibrium density operator. Moreover, by expressing the TFD state in terms of the pr…
Non-chiral bosonization technique adapted to study chiral quantum wires with non-interacting fermions coupled through a point-contact with a constant bias between the wires is introduced and is shown to reproduce the exact Green functions of this system which was previously derived by the present authors analytically using standard methods. The tunneling I-V characteristics are obtained using the bosonized Green functions. The proposed unconventional bosonization scheme is also shown to be internally consistent as the four-point functions evaluated using NCBT are shown to be related to the two…
Recently the authors developed a scattering approach that allows for a complete description of the steady-state physics of quantum-impurities in and out of equilibrium. Quantum impurities are described using scattering eigenstates defined ab initio on the open, infinite line with asymptotic boundary conditions imposed by the leads. The scattering states on the open line are constructed for integrable quantum-impurity models by means of a significant generalization of the Bethe-Ansatz which we call the Scattering Bethe-Ansatz (SBA). The purpose of the paper is to present in detail the scatterin…
Long-lived single-frequency oscillations in the local non-equilibrium dynamics of a quantum many-body system is an exceptional phenomenon. In fact, till now, it has never been observed, nor predicted, for the physically relevant case where a system is prepared to be quenched from one quantum phase to another. Here we show how the quench dynamics of the entanglement spectrum may reveal the emergence of such oscillations in a correlated quantum system with Kondo impurities. The oscillations we find are characterized by a single frequency. This frequency is independent of the amount of energy rel…
We study gapless quantum spin chains with spin 1/2 and 1: the Fredkin and Motzkin models. Their entangled groundstates are known exactly but not their excitation spectra. We first express the groundstates in the continuum which allows for the calculation of spin and entanglement properties in a unified fashion. Doing so, we uncover an emergent conformal-type symmetry, thus consolidating the connection to a widely studied family of Lifshitz quantum critical points in 2d. We then obtain the low lying excited states via large-scale DMRG simulations and find that the dynamical exponent is z = 3.2 …
We introduce a type of quantum dissipation -- local quantum friction -- by adding to the Hamiltonian a local potential that breaks time-reversal invariance so as to cool the system. Unlike the Kossakowski-Lindblad master equation, local quantum friction directly effects unitary evolution of the wavefunctions rather than the density matrix: it may thus be used to cool fermionic many-body systems with thousands of wavefunctions that must remain orthogonal. In addition to providing an efficient way to simulate quantum dissipation and non-equilibrium dynamics, local quantum friction coupled with a…
