Related papers: Imaginary-time matrix product state impurity solve…
An impurity solver for the dynamical mean field (DMFT) study of the Mott insulators is proposed, which is based on the second order perturbation of the hybridization function. After carefully benchmarking it with Quantum Monte Carlo results…
Perturbative schemes utilizing a spectral moment expansion are well known and extensively used for investigating the physics of model Hamiltonians and real material systems. The advantages they offer, in terms of being computationally…
We consider the class of dual-unitary quantum circuits in $1+1$ dimensions and introduce a notion of ``solvable'' matrix product states (MPSs), defined by a specific condition which allows us to tackle their time evolution analytically. We…
In the present paper, we present an efficient continuous-time quantum Monte Carlo impurity solver with high acceptance rate at low temperature for multi-orbital quantum impurity models with general interaction. In this hybridization…
We report on a systematic implementation of su(2) invariance for matrix product states (MPS) with concrete computations cast in a diagrammatic language. As an application we present a variational MPS study of $su(2)$ invariant quantum spin…
Dynamical mean-field theory (DMFT) is one of the most widely-used methods to treat accurately electron correlation effects in ab-initio real material calculations. Many modern large-scale implementations of DMFT in electronic structure…
In this paper we explore the use of an equation of motion decoupling method as an impurity solver to be used in conjunction with the dynamical mean field self-consistency condition for the solution of lattice models. We benchmark the…
Brownian motion of a mobile impurity in a bath is affected by spin-orbit coupling (SOC). Here, we discuss a Caldeira-Leggett-type model that can be used to propose and interpret quantum simulators of this problem in cold Bose gases. First,…
An impurity solver based on a continuous-time quantum Monte Carlo method is developed for the Coqblin-Schrieffer model. The Monte Carlo simulation does not encounter a sign problem for antiferromagnetic interactions, and accurately…
We discuss the recently developed bosonic dynamical mean-field (B-DMFT) framework, which maps a bosonic lattice model onto the selfconsistent solution of a bosonic impurity model with coupling to a reservoir of normal and condensed bosons.…
We use the time dependent variational matrix product state (tVMPS) approach to investigate the dynamical properties of the single impurity Anderson model (SIAM). Under the Jordan-Wigner transformation, the SIAM is reformulated into two…
Quantitative descriptions of strongly correlated materials pose a considerable challenge in condensed matter physics and chemistry. A promising approach to address this problem is quantum embedding methods. In particular, the dynamical…
We propose a fast multi-orbital impurity solver for the dynamical mean field theory (DMFT). Our DMFT solver is based on the equations of motion (EOM) for local Green's functions and constructed by generalizing from the single-orbital case…
We study a matrix product state (MPS) algorithm to approximate excited states of translationally invariant quantum spin systems with periodic boundary conditions. By means of a momentum eigenstate ansatz generalizing the one of \"Ostlund…
We propose to calculate spectral functions of quantum impurity models using the Time Evolving Block Decimation (TEBD) for Matrix Product States. The resolution of the spectral function is improved by a so-called linear prediction approach.…
Matrix product purifications (MPPs) are a very efficient tool for the simulation of strongly correlated quantum many-body systems at finite temperatures. When a system features symmetries, these can be used to reduce computation costs…
We develop a numerical method based on matrix product states for simulating quantum many-body systems at finite temperatures without importance sampling and evaluate its performance in spin 1/2 systems. Our method is an extension of the…
We present a time-domain iteration scheme for solving the Dynamical Mean-Field Theory (DMFT) self-consistent equations using retarded Green's functions in real time. Unlike conventional DMFT approaches that operate in imaginary time or…
We present M-SPARC: MATLAB-Simulation Package for Ab-initio Real-space Calculations. It can perform pseudopotential spin-polarized and unpolarized Kohn-Sham Density Functional Theory (DFT) simulations for isolated systems such as molecules…
We present several improvements of the infinite matrix product state (iMPS) algorithm for finding ground states of one-dimensional quantum systems with long-range interactions. As a main new ingredient we introduce the superposed…