: An open source continuous-time quantum Monte Carlo impurity solver toolkit

@article{Huang2014AO,
  title={: An open source continuous-time quantum Monte Carlo impurity solver toolkit},
  author={Li Huang and Yilin Wang and Zi Yang Meng and Liang Du and Philipp Werner and Xi Dai},
  journal={Comput. Phys. Commun.},
  year={2014},
  volume={221},
  pages={423-424}
}

Figures and Tables from this paper

Improved Hubbard-I approximation impurity solver for quantum impurity models

A fast impurity solver based on the combination of Hubbard-I approximation and hybridization expansion continuous-time quantum Monte Carlo algorithm which is suggested that is very suitable to solve the multi-orbital quantum impurity models efficiently and can be used to study more realistic systems with magnetic long-range order in the future.

State and superstate sampling in hybridization-expansion continuous-time quantum Monte Carlo

Due to the intrinsic complexity of the quantum many-body problem, quantum Monte Carlo algorithms and their corresponding Monte Carlo configurations can be defined in various ways. Configurations

Acflow: An Open Source Toolkit for Analytical Continuation of Quantum Monte Carlo Data

  • Li Huang
  • Physics
    SSRN Electronic Journal
  • 2023
The purpose of analytical continuation is to establish a real frequency spectral representation of single-particle or two-particle correlation function (such as Green's function, self-energy

TRIQS: A toolbox for research on interacting quantum systems

Density Functional Theory Plus Dynamical Mean Field Theory within the Framework of Linear Combination of Numerical Atomic Orbitals: Formulation and Benchmarks.

The combination of density functional theory with dynamical mean-field theory (DFT+DMFT) has become a powerful first-principles approach to tackle strongly correlated materials in condensed matter

The ALF (Algorithms for Lattice Fermions) project release 2.0. Documentation for the auxiliary-field quantum Monte Carlo code

The Algorithms for Lattice Fermions package provides a general code for the finite temperature auxiliary field quantum Monte Carlo algorithm and discusses how to use the package to implement the Kondo lattice model and the $SU(N)$-Hubbard-Heisenberg model.

Continuous-time Monte Carlo methods for quantum impurity models

Quantum impurity models describe an atom or molecule embedded in a host material with which it can exchange electrons. They are basic to nanoscience as representations of quantum dots and molecular

Quantum Monte Carlo impurity solver for cluster dynamical mean-field theory and electronic structure calculations with adjustable cluster base

We generalized the recently introduced impurity solver P. Werner et al., Phys. Rev. Lett. 97, 076405 2006 based on the diagrammatic expansion around the atomic limit and quantum Monte Carlo summation

Lazy skip-lists: An algorithm for fast hybridization-expansion quantum Monte Carlo

Optimizations to the CT-HYB algorithm are presented based on the introduction and combination of two concepts of more general applicability: skip lists and fast rejection of proposed configurations based on matrix bounds.

Hybridization expansion Monte Carlo simulation of multi-orbital quantum impurity problems: matrix product formalism and improved sampling

We explore two complementary modifications of the hybridization-expansion continuous-time Monte Carlo method, aiming at large multi-orbital quantum impurity problems. One idea is to compute the

Continuous-time solver for quantum impurity models.

A new continuous-time solver for quantum impurity models such as those relevant to dynamical mean field theory, based on a stochastic sampling of a perturbation expansion in the impurity-bath hybridization parameter is presented, which allows very efficient simulations even at low temperatures and for strong interactions.

Efficiency of quantum Monte Carlo impurity solvers for the dynamical mean-field theory

Since the inception of the dynamical mean-field theory, numerous numerical studies have relied on the Hirsch-Fye quantum Monte Carlo (HF-QMC) method for solving the associated impurity problem.

Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions

We review the dynamical mean-field theory of strongly correlated electron systems which is based on a mapping of lattice models onto quantum impurity models subject to a self-consistency condition.

Continuous-time auxiliary-field Monte Carlo for quantum impurity models

We present a continuous-time Monte Carlo method for quantum impurity models, which combines a weak-coupling expansion with an auxiliary-field decomposition. The method is considerably more efficient
...