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We investigate the dynamical mean-field theory (DMFT) from a quantum chemical perspective. Dynamical mean-field theory offers a formalism to extend quantum chemical methods for finite systems to infinite periodic problems within a local…

Strongly Correlated Electrons · Physics 2016-11-15 Dominika Zgid , Garnet Kin-Lic Chan

We present a new method, based on the combination of analytical and numerical techniques within the framework of the dynamical mean-field theory (DMFT). Building upon numerically exact results obtained in an improved quantum Monte Carlo…

Strongly Correlated Electrons · Physics 2007-05-23 N. Blümer , E. Kalinowski

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 question if a Mott insulator and a band insulator are fundamentally different has been the matter of intensive research recently. Here we consider a simple model which allows by tuning one parameter to go continously from a Mott…

Strongly Correlated Electrons · Physics 2009-11-11 Andreas Fuhrmann , David Heilmann , Hartmut Monien

Machine learning opens new avenues for modelling correlated materials. Quantum embedding approaches, such as the dynamical mean-field theory (DMFT), provide corrections to first-principles calculations for strongly correlated materials,…

Computational Physics · Physics 2021-12-01 Evan Sheridan , Christopher Rhodes , Francois Jamet , Ivan Rungger , Cedric Weber

Dynamical mean-field theory (DMFT) is a non-perturbative technique for the investigation of correlated electron systems. Its combination with the local density approximation (LDA) has recently led to a material-specific computational scheme…

Strongly Correlated Electrons · Physics 2009-11-10 D. Vollhardt , K. Held , G. Keller , R. Bulla , Th. Pruschke , I. A. Nekrasov , V. I. Anisimov

We review two analytical approaches in Dynamical Mean-Field Theory (DMFT) based on a perturbation theory expansion over the electron hopping to and from the self consistent environment. In the first approach the effective single impurity…

Strongly Correlated Electrons · Physics 2007-05-23 I. V. Stasyuk , A. M. Shvaika

We describe a recent implementation of the combined GW and dynamical mean field (DMFT) method "GW+DMFT" for the two-dimensional Hubbard model with on-site and nearest-neighbor repulsion. We clarify the relation of the GW+DMFT scheme to…

Strongly Correlated Electrons · Physics 2013-04-01 Thomas Ayral , Silke Biermann , Philipp Werner

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…

Superconductivity · Physics 2009-07-22 J. Bauer , A. C. Hewson , N. Dupuis

The Dynamical Mean-Field theory (DMFT) approach to the Hubbard model requires a method to solve the problem of a quantum impurity in a bath of non-interacting electrons. Iterated Perturbation Theory (IPT) has proven its effectiveness as a…

Strongly Correlated Electrons · Physics 2013-05-30 Louis-Francois Arsenault , Patrick Semon , A. -M. S. Tremblay

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 review recent progress in our theoretical understanding of strongly correlated fermion systems in the presence of disorder. Results were obtained by the application of a powerful nonperturbative approach, the Dynamical Mean-Field Theory…

Strongly Correlated Electrons · Physics 2015-05-18 K. Byczuk , W. Hofstetter , D. Vollhardt

Dynamical mean field theory (DMFT) combined with the local density approximation (LDA) is widely used in solids to predict properties of correlated systems. In this paper, its application to one of the simplest strongly correlated systems,…

Strongly Correlated Electrons · Physics 2015-05-18 Juho Lee , Kristjan Haule

Materials with correlated electrons often respond very strongly to external or internal influences, leading to instabilities and states of matter with broken symmetry. This behavior can be studied theoretically either by evaluating the…

Strongly Correlated Electrons · Physics 2017-08-15 J. Kunes , I. Leonov , P. Augustinsky , V. Krapek , M. Kollar , D. Vollhardt

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…

Strongly Correlated Electrons · Physics 2017-09-25 F. Krien , E. G. C. P. van Loon , H. Hafermann , J. Otsuki , M. I. Katsnelson , A. I. Lichtenstein

We derive an exact mapping from the action of nonequilibrium dynamical mean-field theory (DMFT) to a single-impurity Anderson model (SIAM) with time-dependent parameters, which can be solved numerically by exact diagonalization. The…

Strongly Correlated Electrons · Physics 2013-12-06 Christian Gramsch , Karsten Balzer , Martin Eckstein , Marcus Kollar

We demonstrate an algebraic construction of frequency-dependent bath orbitals which can be used in a robust and rigorously self-consistent DMFT-like embedding method, here called $\omega-$DMFT, suitable for use with Hamiltonian-based…

Strongly Correlated Electrons · Physics 2020-02-05 Max Nusspickel , George H. Booth

The LDA+DMFT method is a very powerful tool for gaining insight into the physics of strongly correlated materials. It combines traditional ab-initio density-functional techniques with the dynamical mean-field theory. The core aspects of the…

Strongly Correlated Electrons · Physics 2017-11-22 Eva Pavarini

We propose to calculate spectral functions of quantum impurity models using the Time Evolving Block Decimation (TEBD) for Matrix Product States. The resolution of the spectral function is improved by a so-called linear prediction approach.…

Strongly Correlated Electrons · Physics 2015-10-28 Martin Ganahl , Markus Aichhorn , Patrik Thunström , Karsten Held , Hans Gerd Evertz , Frank Verstraete

We employ dynamical mean field theory (DMFT) with a Quantum Monte Carlo (QMC) atomic solver to investigate the finite temperature Mott transition in the Hubbard model with the nearest neighbor hopping on a triangular lattice at…

Strongly Correlated Electrons · Physics 2009-11-11 K. Aryanpour , W. E. Pickett , R. T. Scalettar