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We present a model intended for rapid sampling of ground and excited state potential energy surfaces for first-row transition metal active sites. The method is computationally inexpensive and is suited for dynamics simulations where (1)…

化学物理 · 物理学 2009-11-10 M. X. LaBute , R. G. Endres , D. L. Cox

We present a study of the attractive Hubbard model based on the dynamical mean field theory (DMFT) combined with the numerical renormalization group (NRG). For this study the NRG method is extended to deal with self-consistent solutions of…

超导电性 · 物理学 2009-07-22 J. Bauer , A. C. Hewson , N. Dupuis

In outdoor acoustics, the calculations of sound propagating in air can be computationally heavy if the domain is chosen large enough to fulfil the Sommerfeld radiation condition. By strategically truncating the computational domain with a…

In this work, we develop a non-equilibrium steady-state non-crossing approximation (NESS-NCA) impurity solver applicable to general impurity problems. The choice of the NCA as the impurity solver enables both a more accurate description of…

强关联电子 · 物理学 2025-01-06 Beomjoon Goh , Junwon Kim , Hongchul Choi , Ji Hoon Shim

Machine learning methods are applied to finding the Green's function of the Anderson impurity model, a basic model system of quantum many-body condensed-matter physics. Different methods of parametrizing the Green's function are…

A rational representation for the self--energy is explored to interpolate the solution of the Anderson impurity model in general orbitally degenerate case. Several constrains such as the Friedel's sum rule, positions of the Hubbard bands as…

强关联电子 · 物理学 2009-11-10 S. Y. Savrasov , V. Oudovenko , K. Haule , D. Villani , G. Kotliar

We investigate the mean-field phase diagram of the Anderson impurity model out of equilibrium. Generalising the unrestricted Hartree-Fock approach to the non-equilibrium situation we derive and analyse the system of equations defining the…

介观与纳米尺度物理 · 物理学 2009-11-10 A. Komnik , A. O. Gogolin

This review is devoted to generalization of dynamical mean-field theory (DMFT) for strongly correlated electronic systems towards the account of different types of additional interactions, necessary for correct physical description of many…

强关联电子 · 物理学 2015-05-30 E. Z. Kuchinskii , I. A. Nekrasov , M. V. Sadovskii

The unphysical solutions of the periodic Anderson model obtained by H. Keiter and T. Leuders [Europhys. Lett. 49, 801(2000)] in dynamical mean-field theory (DMFT) are shown to result from the author's restricted choice of the functional…

强关联电子 · 物理学 2009-11-07 Th. Pruschke , W. Metzner , D. Vollhardt

Dynamical mean-field theory allows access to the physics of strongly correlated materials with nontrivial orbital structure, but relies on the ability to solve auxiliary multi-orbital impurity problems. The most successful approaches to…

强关联电子 · 物理学 2023-11-29 Dolev Goldberger , Yehonatan Fridman , Emanuel Gull , Eitan Eidelstein , Guy Cohen

Extensions of dynamical-mean-field-theory (DMFT) make use of quantum impurity models as non-perturbative and exactly solvable reference systems which are essential to treat the strong electronic correlations. Through the introduction of…

强关联电子 · 物理学 2017-09-25 F. Krien , E. G. C. P. van Loon , H. Hafermann , J. Otsuki , M. I. Katsnelson , A. I. Lichtenstein

The dynamical mean-field theory (DMFT) is employed to study the Mott transition in the semi-infinite Hubbard model at half-filling and zero temperature. We consider the low-index surfaces of the three-dimensional simple-cubic lattice and…

强关联电子 · 物理学 2016-08-31 M. Potthoff , W. Nolting

Density of states, dynamic (optical) conductivity and phase diagram of paramagnetic two-dimensional Anderson-Hubbard model with strong correlations and disorder are analyzed within the generalized dynamical mean-field theory (DMFT+Sigma…

强关联电子 · 物理学 2010-05-17 E. Z. Kuchinskii , N. A. Kuleeva , I. A. Nekrasov , M. V. Sadovskii

We propose an efficient algorithm to numerically solve Anderson impurity problems using matrix product states. By introducing a modified chain mapping we obtain significantly lower entanglement, as compared to all previous attempts, while…

强关联电子 · 物理学 2021-07-14 Lucas Kohn , Giuseppe E. Santoro

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

Dynamical Mean-Field Theory (DMFT) has opened new perspectives for the investigation of strongly correlated electron systems and greatly improved our understanding of correlation effects in models and materials. In contrast to…

强关联电子 · 物理学 2020-07-16 Dieter Vollhardt

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

We analyze spin density waves (SDWs) in the Hubbard model on a square lattice within the framework of inhomogeneous dynamical mean field theory (iDMFT). Doping the half-filled Hubbard model results in a change of the antiferromagnetic…

强关联电子 · 物理学 2014-04-28 Robert Peters , Norio Kawakami

Dynamical coupled-channel approaches are a widely used tool in hadronic physics that allow to analyze different reactions and partial waves in a consistent way. In such approaches the basic interactions are derived within an effective…

高能物理 - 格点 · 物理学 2015-05-30 M. Döring , J. Haidenbauer , U. -G. Meißner , A. Rusetsky

The mapping of steady-state nonequilibrium dynamical mean-field theory from the lattice to the impurity is described in detail. Our focus is on the case with current flow under a constant dc electric field of arbitrary magnitude. In…

强关联电子 · 物理学 2011-12-15 J. K. Freericks