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Strongly correlated quantum impurity problems appear in a wide variety of contexts ranging from nanoscience and surface physics to material science and the theory of strongly correlated lattice models, where they appear as auxiliary systems…

Strongly Correlated Electrons · Physics 2013-02-19 Hartmut Hafermann , Philipp Werner , Emanuel Gull

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…

Strongly Correlated Electrons · Physics 2020-06-11 Hiroshi Shinaoka , Yusuke Nomura , Emanuel Gull

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 than Hirsch-Fye and free of time…

Strongly Correlated Electrons · Physics 2008-06-02 Emanuel Gull , Philipp Werner , Olivier Parcollet , Matthias Troyer

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 imaginary-time propagation using a matrix…

Strongly Correlated Electrons · Physics 2014-07-01 Hiroshi Shinaoka , Michele Dolfi , Matthias Troyer , Philipp Werner

A recently developed continuous time solver based on an expansion in hybridization about an exactly solved local limit is reformulated in a manner appropriate for general classes of quantum impurity models including spin exchange and pair…

Strongly Correlated Electrons · Physics 2009-11-11 Philipp Werner , Andrew J. Millis

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…

Computational Physics · Physics 2017-11-22 Li Huang

Multi-orbital quantum impurity models with general interaction and hybridization terms appear in a wide range of applications including embedding, quantum transport, and nanoscience. However, most quantum impurity solvers are restricted to…

Strongly Correlated Electrons · Physics 2022-04-19 Jia Li , Yang Yu , Emanuel Gull , Guy Cohen

We present a new continuous time solver for quantum impurity models such as those relevant to dynamical mean field theory. It is based on a stochastic sampling of a perturbation expansion in the impurity-bath hybridization parameter.…

Strongly Correlated Electrons · Physics 2009-11-11 Philipp Werner , Armin Comanac , Luca De Medici , Matthias Troyer , Andrew J. Millis

We present TRIQS/CTHYB, a state-of-the art open-source implementation of the continuous-time hybridisation expansion quantum impurity solver of the TRIQS package. This code is mainly designed to be used with the TRIQS library in order to…

Strongly Correlated Electrons · Physics 2016-01-25 Priyanka Seth , Igor Krivenko , Michel Ferrero , Olivier Parcollet

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…

Strongly Correlated Electrons · Physics 2019-02-20 Changming Yue , Yilin Wang , Junya Otsuki , Xi Dai

We present a numerically exact Inchworm Monte Carlo method for equilibrium multiorbital quantum impurity problems with general interactions and hybridizations. We show that the method, originally developed to overcome the dynamical sign…

Strongly Correlated Electrons · Physics 2020-05-25 Eitan Eidelstein , Emanuel Gull , Guy Cohen

Quantum impurity solvers have a broad range of applications in theoretical studies of strongly correlated electron systems. Especially, they play a key role in dynamical mean-field theory calculations of correlated lattice models and…

Strongly Correlated Electrons · Physics 2015-06-23 Li Huang , Yilin Wang , Zi Yang Meng , Liang Du , Philipp Werner , Xi Dai

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 conductors and play an increasingly…

Strongly Correlated Electrons · Physics 2011-05-09 Emanuel Gull , Andrew J. Millis , Alexander I. Lichtenstein , Alexey N. Rubtsov , Matthias Troyer , Philipp Werner

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…

Strongly Correlated Electrons · Physics 2019-08-07 Patryk Kubiczek , Alexey N. Rubtsov , Alexander I. Lichtenstein

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…

Strongly Correlated Electrons · Physics 2014-09-23 P. Sémon , Chuck-Hou Yee , Kristjan Haule , A. -M. S. Tremblay

We develop a continuous-time quantum Monte Carlo method based on a strong-coupling expansion for Anderson impurity models with phonon-assisted hybridizations for arbitrary number of phonon modes. As a benchmark, we investigate the…

Strongly Correlated Electrons · Physics 2015-06-15 Kazumasa Hattori

The inchworm expansion is a promising approach to solving strongly correlated quantum impurity models due to its reduction of the sign problem in real and imaginary time. However, inchworm Monte Carlo is computationally expensive,…

Strongly Correlated Electrons · Physics 2024-11-21 Hugo U. R. Strand , Joseph Kleinhenz , Igor Krivenko

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…

Strongly Correlated Electrons · Physics 2015-05-14 Marco Schiró

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…

Strongly Correlated Electrons · Physics 2007-10-25 J. Otsuki , H. Kusunose , P. Werner , Y. Kuramoto

We present a continuous-time Monte Carlo impurity solver for multiorbital impurity models which combines a strong-coupling hybridization expansion and a weak-coupling expansion in the Hund's coupling parameter J. This double-expansion…

Strongly Correlated Electrons · Physics 2015-09-14 Karim Steiner , Yusuke Nomura , Philipp Werner
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