# : 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} }

## 49 Citations

### TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridisation expansion solver for quantum impurity problems

- Computer ScienceComput. Phys. Commun.
- 2016

### Continuous-time hybridization expansion quantum impurity solver for multi-orbital systems with complex hybridizations

- Computer ScienceComput. Phys. Commun.
- 2017

### CT-X: An efficient continuous-time quantum Monte Carlo impurity solver in the Kondo regime

- PhysicsComput. Phys. Commun.
- 2019

### Improved Hubbard-I approximation impurity solver for quantum impurity models

- PhysicsJournal of physics. Condensed matter : an Institute of Physics journal
- 2018

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

- PhysicsPhysical Review B
- 2019

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…

### Accelerated impurity solver for DMFT and its diagrammatic extensions

- PhysicsComput. Phys. Commun.
- 2021

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

- PhysicsSSRN 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

- Computer Science, PhysicsComput. Phys. Commun.
- 2015

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

- PhysicsJournal of chemical theory and computation
- 2022

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

- PhysicsSciPost Physics Codebases
- 2022

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.

## 80 References

### Efficient implementation of the continuous-time hybridization expansion quantum impurity solver

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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

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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

- Physics, Computer Science
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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

- Physics
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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.

- PhysicsPhysical review letters
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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

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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.…

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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.…

### The ALPS project release 2.0: open source software for strongly correlated systems

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

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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…