A Numerical Renormalization Group approach to Green's Functions for Quantum Impurity Models

New model-independent compact representations of imaginary-time data are presented in terms of the intermediate representation (IR) of analytical continuation. This is motivated by a recent numerical finding by the authors [J. Otsuki et al., arXiv:1702.03056]. We demonstrate the efficiency of the IR through continuous-time quantum Monte Carlo calculations of an Anderson impurity model. We find that the IR yields a significantly compact form of various types of correlation fun...

A Monte Carlo sampling of diagrammatic corrections to the non-crossing approximation is shown to provide numerically exact estimates of the long-time dynamics and steady state properties of nonequilibrium quantum impurity models. This `bold' expansion converges uniformly in time and significantly ameliorates the sign problem that has heretofore limited the power of real-time Monte Carlo approaches to strongly interacting real-time quantum problems. The new approach enables th...

We present results for the spectral properties of Kondo impurities in nanoscopic systems. Using Wilson's renormalization group we analyze the frequency and temperature dependence of the impurity spectral density for impurities in small systems that are either isolated or in contact with a reservoir. We have performed a detailed analysis of the structure of the impurity spectral density for energies around the Fermi energy for different Fermi energies relative to the intrinsic...

We analyze the process of thermalization, dynamics and the eigenstate thermalization hypothesis (ETH) for the single impurity Anderson model, focusing on the Kondo regime. For this we construct the complete eigenbasis of the Hamiltonian using the numerical renormalization group (NRG) method in the language of the matrix product states. It is a peculiarity of the NRG that while the Wilson chain is supposed to describe a macroscopic bath, very few single particle excitations al...

The simulation of strongly correlated quantum impurity models is a significant challenge in modern condensed matter physics that has multiple important applications. Thus far, the most successful methods for approaching this challenge involve Monte Carlo techniques that accurately and reliably sample perturbative expansions to any order. However, the cost of obtaining high precision through these methods is high. Recently, tensor train decomposition techniques have been devel...

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 introduce approximate, functional renormalization group based schemes to obtain correlation functions in pure excited eigenstates of large fermionic many-body systems at arbitrary energies. The algorithms are thouroughly benchmarked and their strengths and shortcomings are documented using a one-dimensional interacting tight-binding chain as a prototypical testbed. We study two `toy applications' from the world of Luttinger liquid physics: the survival of power laws in low...

We use the non-equilibrium Green's function formalism along with a self-consistent Hartree-Fock approximation to numerically study the effects of a single impurity and interactions between the electrons (with and without spin) on the conductance of a quantum wire. We study how the conductance varies with the wire length, the temperature, and the strength of the impurity and interactions. The dependence of the conductance on the wire length and temperature is found to be in ro...

Recent developments in the numerical renormalization group (NRG) allow the construction of the full density matrix (FDM) of quantum impurity models (see A. Weichselbaum and J. von Delft) by using the completeness of the eliminated states introduced by F. B. Anders and A. Schiller (2005). While these developments prove particularly useful in the calculation of transient response and finite temperature Green's functions of quantum impurity models, they may also be used to calcu...

The Density Matrix Renormalization Group (DMRG) has become a powerful numerical method that can be applied to low-dimensional strongly correlated fermionic and bosonic systems. It allows for a very precise calculation of static, dynamical and thermodynamical properties. Its field of applicability has now extended beyond Condensed Matter, and is successfully used in Statistical Mechanics and High Energy Physics as well. In this article, we briefly review the main aspects of th...