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In this paper, we present an efficient and stable method to determine the one-particle Green's function in the hybridization-expansion continuous-time (CT-HYB) quantum Monte Carlo method, within the framework of the dynamical mean-field…

强关联电子 · 物理学 2012-03-07 Gang Li , Werner Hanke

We describe an open-source implementation of the continuous-time hybridization-expansion quantum Monte Carlo method for impurity models with general instantaneous two-body interactions and complex hybridization functions. The code is built…

强关联电子 · 物理学 2017-05-02 Hiroshi Shinaoka , Emanuel Gull , Philipp Werner

We give a detailed comparison of the hierarchical quantum master equation (HQME) method to a continuous-time quantum Monte Carlo (CT-QMC) approach, assessing the usability of these numerically exact schemes as impurity solvers in practical…

介观与纳米尺度物理 · 物理学 2015-08-28 R. Härtle , G. Cohen , D. R. Reichman , A. J. Millis

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…

强关联电子 · 物理学 2015-05-14 Marco Schiró

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…

强关联电子 · 物理学 2014-07-01 Hiroshi Shinaoka , Michele Dolfi , Matthias Troyer , Philipp Werner

We develop a diagrammatic Monte Carlo method for the real-time dynamics of dissipative quantum impurity models. These are small open quantum systems with interaction and local Markovian dissipation, coupled to a large quantum bath. Our…

强关联电子 · 物理学 2024-03-26 Matthieu Vanhoecke , Marco Schirò

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…

强关联电子 · 物理学 2013-02-19 Hartmut Hafermann , Philipp Werner , Emanuel Gull

We derive equations of motion for Green's functions of the multi-orbital Anderson impurity model by differentiating symmetrically with respect to all time arguments. The resulting equations relate the one- and two-particle Green's function…

强关联电子 · 物理学 2019-08-14 Josef Kaufmann , Patrik Gunacker , Alexander Kowalski , Giorgio Sangiovanni , Karsten Held

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…

强关联电子 · 物理学 2014-09-23 P. Sémon , Chuck-Hou Yee , Kristjan Haule , A. -M. S. Tremblay

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…

强关联电子 · 物理学 2009-11-11 Philipp Werner , Andrew J. Millis

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.…

强关联电子 · 物理学 2009-11-11 Philipp Werner , Armin Comanac , Luca De Medici , Matthias Troyer , Andrew J. Millis

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…

强关联电子 · 物理学 2015-06-15 Kazumasa Hattori

We present a worm sampling method for calculating one- and two-particle Green's functions using continuous-time quantum Monte Carlo simulations in the hybridization expansion (CT-HYB). Instead of measuring Green's functions by removing…

The diagramatic Monte Carlo method has so far been primarily used in connection with the weak coupling expansion. Here we show that the strong coupling expansion offers a significant advantage: it can be efficiently implemented on both the…

强关联电子 · 物理学 2023-11-17 Kristjan Haule

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 corresponding to few Feynman diagrams often…

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…

强关联电子 · 物理学 2019-02-20 Changming Yue , Yilin Wang , Junya Otsuki , Xi Dai

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…

计算物理 · 物理学 2017-11-22 Li Huang

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…

强关联电子 · 物理学 2007-10-25 J. Otsuki , H. Kusunose , P. Werner , Y. Kuramoto

We present an implementation of the hybridization expansion impurity solver which employs sparse matrix exact-diagonalization techniques to compute the time evolution of the local Hamiltonian. This method avoids computationally expensive…

强关联电子 · 物理学 2009-12-12 Andreas Laeuchli , Philipp Werner

The negative sign problem in quantum Monte Carlo (QMC) simulations of cluster impurity problems is the major bottleneck in cluster dynamical mean field calculations. In this paper we systematically investigate the dependence of the sign…

强关联电子 · 物理学 2015-11-18 Hiroshi Shinaoka , Yusuke Nomura , Silke Biermann , Matthias Troyer , Philipp Werner
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