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We present a real-frequency third-order strong-coupling impurity solver which employs quantics tensor cross interpolation (QTCI) for an efficient evaluation of the diagram weights. Applying the method to dynamical mean-field theory (DMFT)…

Strongly Correlated Electrons · Physics 2026-02-10 Lei Geng , Aaram J. Kim , Philipp Werner

In this paper a fast impurity solver is proposed for dynamical mean field theory (DMFT) based on a decoupling of the equations of motion for the impurity Greens function. The resulting integral equations are solved efficiently with a method…

Strongly Correlated Electrons · Physics 2009-06-10 Qingguo Feng , Yuzhong Zhang , Harald O. Jeschke

We apply the tensor cross interpolation (TCI) algorithm to solve equilibrium quantum impurity problems with high precision based on the weak-coupling expansion. The TCI algorithm, a kind of active learning method, factorizes…

Strongly Correlated Electrons · Physics 2025-05-02 Shuta Matsuura , Hiroshi Shinaoka , Philipp Werner , Naoto Tsuji

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…

Strongly Correlated Electrons · Physics 2023-11-17 Kristjan Haule

We present a functional interpolation approach within the auxiliary master equation framework to efficiently and accurately solve correlated impurity problems in nonequilibrium dynamical mean-field theory (DMFT). By leveraging a near-exact…

Strongly Correlated Electrons · Physics 2025-06-13 Daniel Werner , Enrico Arrigoni

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 generalized the recently introduced new impurity solver based on the diagrammatic expansion around the atomic limit and Quantum Monte Carlo summation of the diagrams. We present generalization to the cluster of impurities, which is at…

Strongly Correlated Electrons · Physics 2009-11-11 Kristjan Haule

Quantum impurity solvers are the computational bottleneck of quantum embedding approaches to correlated materials, such as dynamical mean-field theory (DMFT). We show that neural networks trained on synthetic, material-agnostic data learn…

Strongly Correlated Electrons · Physics 2026-03-25 Agnes Valenti , Ina Park , Antoine Georges , Andrew J. Millis , Olivier Parcollet

We introduce a neural network impurity solver for real-frequency DMFT that employs a multihead cross-attention mechanism to map hybridization functions to spectral functions, conditioned on impurity parameters. Trained on high-quality MPS…

Strongly Correlated Electrons · Physics 2025-11-19 Fenglin Deng , Yi Lu , Xiaodong Cao , Zhicheng Zhong

We propose a fast impurity solver for the general quantum impurity model based on the perturbation theory around the atomic limit, which can be used in combination with the local density approximation (LDA) and the dynamical mean field…

Strongly Correlated Electrons · Physics 2009-11-10 Xi Dai , Kristjan Haule , Gabriel Kotliar

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 present an algorithm for solving the self-consistency equations of the dynamical mean-field theory (DMFT) with high precision and efficiency at low temperatures. In each DMFT iteration, the impurity problem is mapped to an auxiliary…

Strongly Correlated Electrons · Physics 2013-06-11 D. Rost , F. Assaad , N. Blümer

We propose a fast multi-orbital impurity solver for the dynamical mean field theory (DMFT). Our DMFT solver is based on the equations of motion (EOM) for local Green's functions and constructed by generalizing from the single-orbital case…

Strongly Correlated Electrons · Physics 2015-05-30 Qingguo Feng , P. M. Oppeneer

The Dynamical Mean Field Theory (DMFT) is a powerful tool for calculating highly correlated systems (both bosonic and fermionic) in a state of thermodynamic equilibrium. However, in the case of non-equilibrium states, the method has…

Strongly Correlated Electrons · Physics 2023-11-07 A. Karpov , G. Sultanov , E. Polyakov , A. Rubtsov

We show how to use diagrammatic techniques to compute the weak-coupling perturbation series of the self-consistent solution to a Dynamical Mean Field Theory (DMFT) problem. This approach constitutes an alternative to using diagrammatic…

Strongly Correlated Electrons · Physics 2025-04-29 Corentin Bertrand , Michel Ferrero , Olivier Parcollet

In this paper we explore the use of an equation of motion decoupling method as an impurity solver to be used in conjunction with the dynamical mean field self-consistency condition for the solution of lattice models. We benchmark the…

Strongly Correlated Electrons · Physics 2007-05-23 Harald O. Jeschke , Gabriel Kotliar

We present an impurity solver based on adaptively truncated Hilbert spaces. The solver is particularly suitable for dynamical mean-field theory in circumstances where quantum Monte Carlo approaches are ineffective. It exploits the sparsity…

Strongly Correlated Electrons · Physics 2017-08-30 Ara Go , Andrew J. Millis

The investigation of quantum impurity models plays a crucial role in condensed matter physics because of their wide-ranging applications, such as embedding theories and transport problems. Traditional methods often fall short of producing…

Strongly Correlated Electrons · Physics 2025-08-14 Yang Yu , André Erpenbeck , Dominika Zgid , Guy Cohen , Olivier Parcollet , Emanuel Gull

Although several impurity solvers in the dynamical mean field theory (DMFT) have been proposed, especially in multi-band systems, there are practical difficulties arising from a trade-off between numerical costs and reliability. In this…

Strongly Correlated Electrons · Physics 2021-08-04 Ryota Mizuno , Masayuki Ochi , Kazuhiko Kuroki

We present an efficient impurity solver for the dynamical mean-field theory (DMFT). It is based on the separation of bath degrees of freedom into the low energy and the high energy parts. The former is solved exactly using exact…

Strongly Correlated Electrons · Physics 2017-01-02 Hengyue Li , Ning-Hua Tong
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