Related papers: CT-X: an efficient continuous-time quantum Monte C…
Nanoscale physics and dynamical mean field theory have both generated increased interest in complex quantum impurity problems and so have focused attention on the need for flexible quantum impurity solvers. Here we demonstrate that the…
We present a quantum impurity solver based on a pseudo-particle framework, which combines diagrammatic resummations for a three-point vertex with diagrammatic Monte Carlo sampling of a four-point vertex. This recently proposed approach [A.…
We develop a continuous-time quantum Monte Carlo (CTQMC) method for quantum impurities coupled to interacting quantum wires described by a Tomonaga-Luttinger liquid. The method is negative-sign free for any values of the Tomonaga-Luttinger…
In this paper, we present a new version of the $i$QIST software package, which is capable of solving various quantum impurity models by using the hybridization expansion (or strong coupling expansion) continuous-time quantum Monte Carlo…
The solution of a generalized impurity model lies at the heart of electronic structure calculations with dynamical mean-field theory (DMFT). In the strongly-correlated regime, the method of choice for solving the impurity model is the…
A new computational method for finite-temperature properties of strongly correlated electrons is proposed by extending the variational Monte Carlo method originally developed for the ground state. The method is based on the path integral in…
Computing the ground-state properties of quantum many-body systems is a promising application of near-term quantum hardware with a potential impact in many fields. The conventional algorithm quantum phase estimation uses deep circuits and…
We describe an open-source implementation of the continuous-time interaction-expansion quantum Monte Carlo method for cluster-type impurity models with onsite Coulomb interactions and complex Weiss functions. The code is based on the ALPS…
We study the impurity-induced phase transitions in a quasi-one-dimensional Heisenberg antiferromagnet doped with magnetic spin-1/2 impurities and non-magnetic ones. The impurity-induced transition temperature determined by the quantum Monte…
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…
By decomposing the important sampled imaginary time Schr\"odinger evolution operator to fourth order with positive coefficients, we derived a number of distinct fourth order Diffusion Monte Carlo algorithms. These sophisticated algorithms…
We introduce a new implementation of hybridization expansion continuous time quantum impurity solver which is relevant to dynamical mean-field theory. It employs Newton interpolation at a sequence of real Leja points to compute the time…
In this work we introduce a modified real-time continuous-time hybridization-expansion quantum Monte Carlo solver for a time-dependent single-orbital Anderson impurity model: CT-1/2-HYB-QMC. In the proposed method the diagrammatic expansion…
We propose a fast impurity solver for the general quantum impurity model based on the perturbation theory around the atomic limit, which can be used in combination with the local density approximation (LDA) and the dynamical mean field…
We extend the recently developed real-time Diagrammatic Monte Carlo method, in its hybridization expansion formulation, to the full Kadanoff-Baym-Keldysh contour. This allows us to study real-time dynamics in correlated impurity models…
Employing a classical density-functional description of liquid environments, we introduce a rigorous method for the diffusion quantum Monte Carlo calculation of free energies and thermodynamic averages of solvated systems that requires…
We propose that a combination of the semiclassical approximation with Monte Carlo simulations can be an efficient and reliable impurity solver for dynamical mean field theory equations and their cluster extensions with large cluster sizes.…
Impurity solvers play an essential role in the numerical investigation of strongly correlated electrons systems within the "dynamical mean field" approximation. Recently, a new class of continuous-time solvers has been developed, based on a…
The Grassmann time-evolving matrix product operator (GTEMPO) method has proven to be an accurate and efficient numerical method for the real-time dynamics of quantum impurity problems. Whereas its application for imaginary-time calculations…
Quantum impurity solvers are the computational bottleneck of quantum embedding approaches to correlated materials, such as dynamical mean-field theory (DMFT). We show that neural networks trained on synthetic, material-agnostic data learn…