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In the dynamics of driven impurity models, there is a fundamental asymmetry between the processes of emission and absorption of environment excitations: most of the emitted excitations are rapidly and irreversibly scattered away, and only a…

Strongly Correlated Electrons · Physics 2017-12-13 Evgeny A. Polyakov , Alexey N. Rubtsov

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

Dynamical mean-field theory (DMFT) is one of the most widely-used methods to treat accurately electron correlation effects in ab-initio real material calculations. Many modern large-scale implementations of DMFT in electronic structure…

Strongly Correlated Electrons · Physics 2019-06-05 Evan Sheridan , Cedric Weber , Evgeny Plekhanov , Christopher Rhodes

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

Effective descriptions accounting for the evolution of quantum systems that are acted on by a bath are desirable. As the number of bath degrees of freedom increases and full quantum simulations turn out computationally prohibitive, simpler…

Quantum Physics · Physics 2014-02-18 A. S. Sanz

An impurity solver for the dynamical mean field (DMFT) study of the Mott insulators is proposed, which is based on the second order perturbation of the hybridization function. After carefully benchmarking it with Quantum Monte Carlo results…

Strongly Correlated Electrons · Physics 2009-11-10 Jia Ning Zhuang , Qing Mei Liu , Zhong Fang , Xi Dai

We develop a method to study quantum impurity models, small interacting quantum systems linearly coupled to an environment, in presence of an additional Markovian quantum bath, with a generic non-linear coupling to the impurity. We aim at…

Quantum Physics · Physics 2025-03-10 Orazio Scarlatella , Marco Schirò

We introduce a nested optimization procedure using semi-definite relaxation for the fitting step in Hamiltonian-based cluster dynamical mean-field theory (DMFT) methodologies. We show that the proposed method is more efficient and flexible…

Strongly Correlated Electrons · Physics 2020-01-31 Carlos Mejuto-Zaera , Leonardo Zepeda-Núñez , Michael Lindsey , Norm Tubman , K. Birgitta Whaley , Lin Lin

We propose an out-of-equilibrium impurity model for the dynamical mean-field description of the Hubbard model driven by a finite electric field. The out-of-equilibrium impurity environment is represented by a collection of equilibrium…

Strongly Correlated Electrons · Physics 2013-03-14 Camille Aron , Cedric Weber , Gabriel Kotliar

Two of the primary sources of error in the Cluster dynamical mean-field theory (CDMFT) technique arise from the use of finite size clusters and finite size baths, which makes the development of impurity solvers that can treat larger systems…

Strongly Correlated Electrons · Physics 2023-12-12 P. Rosenberg , D. Sénéchal , A. -M. S. Tremblay , M. Charlebois

We introduce DMET, a new quantum embedding theory for predicting ground-state properties of infinite systems. Like dynamical mean-field theory (DMFT), DMET maps the the bulk interacting system to a simpler impurity model and is exact in the…

Strongly Correlated Electrons · Physics 2015-03-20 Gerald Knizia , Garnet Kin-Lic Chan

Quantitative descriptions of strongly correlated materials pose a considerable challenge in condensed matter physics and chemistry. A promising approach to address this problem is quantum embedding methods. In particular, the dynamical…

Quantum Physics · Physics 2024-05-07 Rihito Sakurai , Wataru Mizukami , Hiroshi Shinaoka

We consider a quantum mechanical system represented in phase space (referred to hereafter as "Wigner space"), coupled to a harmonic oscillator bath. We derive quantum hierarchal Fokker-Planck (QHFP) equations not only in real time, but also…

Statistical Mechanics · Physics 2015-04-16 Yoshitaka Tanimura

We propose a method for estimating smooth real-frequency self-energy in the dynamical mean-field theory with the finite-temperature exact diagonalization (DMFT-ED). One of the benefits of DMFT-ED calculations is that one can obtain…

Strongly Correlated Electrons · Physics 2019-06-10 Yuki Nagai , Hiroshi Shinaoka

We introduce real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static DMET, real-time DMET…

Chemical Physics · Physics 2017-11-03 Joshua S. Kretchmer , Garnet Kin-Lic Chan

In the pursuit of accurate descriptions of strongly correlated quantum many-body systems, dynamical mean-field theory (DMFT) has been an invaluable tool for elucidating the spectral properties and quantum phases of both phenomenological…

Strongly Correlated Electrons · Physics 2019-10-07 Carlos Mejuto-Zaera , Norm M. Tubman , K. Birgitta Whaley

We present a new, computationally inexpensive method for the calculation of reduced density matrix dynamics for systems with a potentially large number of subsystem degrees of freedom coupled to a generic bath. The approach consists of…

Chemical Physics · Physics 2015-12-09 Andrés Montoya-Castillo , Timothy C. Berkelbach , David R. Reichman

Noise is often regarded as a limitation of quantum computers. In this work, we show that in the dynamical mean field theory (DMFT) approach to strongly-correlated systems, it can actually be harnessed to our advantage. Indeed, DMFT maps a…

Quantum Physics · Physics 2025-08-01 Corentin Bertrand , Pauline Besserve , Michel Ferrero , Thomas Ayral

In this article we formulate the superperturbation theory for the Anderson impurity model on the real axis. The resulting impurity solver allows to evaluate dynamical quantities without numerical analytical continuation by the maximum…

Strongly Correlated Electrons · Physics 2015-05-27 Christoph Jung , Aljoscha Wilhelm , Hartmut Hafermann , Sergey Brener , Alexander Lichtenstein

We present real-time inchworm quantum Monte Carlo results for single-site dynamical mean field theory on an infinite coordination number Bethe lattice. Our numerically exact results are obtained on the L-shaped Keldysh contour and, being…

Strongly Correlated Electrons · Physics 2017-10-18 Qiaoyuan Dong , Igor Krivenko , Joseph Kleinhenz , Andrey E. Antipov , Guy Cohen , Emanuel Gull