Currents and Green's functions of impurities out of equilibrium -- results from inchworm Quantum Monte Carlo

We present a technique for calculating non-equilibrium Green functions for impurity systems with local interactions. We use an analogy to the calculation of response functions in the x-ray problem.The initial state and the final state problems, which correspond to the situations before and after the disturbance (an electric or magnetic field, for example) is suddenly switched on, are solved with the aid of Wilson's momentum shell renormalization group. The method is illustrat...

Recently Han and Heary proposed an approach to steady-state quantum transport through mesoscopic structures, which maps the non-equilibrium problem onto a family of auxiliary quantum impurity systems subject to imaginary voltages. We employ continuous-time quantum Monte-Carlo solvers to calculate accurate imaginary time data for the auxiliary models. The spectral function is obtained from a maximum entropy analytical continuation in both Matsubara frequency and complexified v...

An emergent and promising tensor-network-based impurity solver is to represent the path integral as a matrix product state, where the bath is analytically integrated out using Feynman-Vernon influence functional. Here we present an approach to calculate the equilibrium impurity spectral function based on the recently proposed Grassmann time-evolving matrix product operators method. The central idea is to perform a quench from a separable impurity-bath initial state as in the ...

Inspired by the recent proposed Legendre orthogonal polynomial representation of imaginary-time Green's functions, we develop an alternate representation for the Green's functions of quantum impurity models and combine it with the hybridization expansion continuous-time quantum Monte Carlo impurity solver. This representation is based on the kernel polynomial method, which introduces various integral kernels to filter fluctuations caused by the explicit truncations of polynom...

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 m...

An acceleration of continuous time quantum Monte Carlo (CTQMC) methods is a potentially interesting branch of work as they are matchless as impurity solvers of a density functional theory in combination with a dynamical mean field theory approach for the description of electronic structures of strongly correlated materials. The inversion of the $k \times k$ matrix given by the diagram expansion order $k$ in the CTQMC update and the multiplication of the $k \times k$ matrix an...

We present a unified framework for renormalization group methods, including Wilson's numerical renormalization group (NRG) and White's density-matrix renormalization group (DMRG), within the language of matrix product states. This allows improvements over Wilson's NRG for quantum impurity models, as we illustrate for the one-channel Kondo model. Moreover, we use a variational method for evaluating Green's functions. The proposed method is more flexible in its description of s...

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...

We present an infinite Grassmann time-evolving matrix product operator method for quantum impurity problems, which directly works in the steady state. The method embraces the well-established infinite matrix product state algorithms with the recently developed GTEMPO method, and benefits from both sides: it obtains numerically exact real-time Green's functions without sampling noises and bath discretization error, it is applicable for any temperature without the sign problem,...

A quantum Monte Carlo method with non-local update scheme is presented. The method is based on a path-integral decomposition and a worm operator which is local in imaginary time. It generates states with a fixed number of particles and respects other exact symmetries. Observables like the equal-time Green's function can be evaluated in an efficient way. To demonstrate the versatility of the method, results for the one-dimensional Bose-Hubbard model and a nuclear pairing model...