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We present a novel scheme for an unbiased and non-perturbative treatment of strongly correlated fermions. The proposed approach combines two of the most successful many-body methods, i.e., the dynamical mean field theory (DMFT) and the…

Strongly Correlated Electrons · Physics 2014-05-27 C. Taranto , S. Andergassen , J. Bauer , K. Held , A. Katanin , W. Metzner , G. Rohringer , A. Toschi

LDA+DMFT, the computation scheme merging the local density approximation and the dynamical mean-field theory, is employed to calculate spectra both below and above the Fermi energy and spin and orbital occupations in the correlated…

Strongly Correlated Electrons · Physics 2009-11-10 G. Keller , K. Held , V. Eyert , D. Vollhardt , V. I. Anisimov

We present an accurate local density-functional for electronic-structure calculations within the density functional theory (DFT). The functional is derived by analyzing the structure of the standard perturbative expansion of the correlation…

Materials Science · Physics 2024-11-28 Mario Benites , Angel Rosado , Efstratios Manousakis

We implement the recently developed influence functional matrix product states approach as impurity solver in equilibrium and nonequilibrium dynamical mean field theory (DMFT) calculations of the single-band Hubbard model. The method yields…

Strongly Correlated Electrons · Physics 2025-07-02 Mithilesh Nayak , Julian Thoenniss , Michael Sonner , Dmitry A. Abanin , Philipp Werner

Modern density functional approximations achieve moderate accuracy at low computational cost for many electronic structure calculations. Some background is given relating the gradient expansion of density functional theory to the WKB…

Chemical Physics · Physics 2021-01-27 Kieron Burke

Dynamical mean-field approximation with explicit pairing is utilized to study the properties of a two-component Fermi gas at unitarity. The problem is approximated by the lattice Hubbard Hamiltonian, and the continuum limit is realized by…

Statistical Mechanics · Physics 2009-11-13 Nir Barnea

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 consider the thermodynamic consistency of the charge response function in the (extended) Hubbard model. In DMFT, thermodynamic consistency is preserved. We prove that the static, homogeneous DMFT susceptibility is consistent as long as…

Strongly Correlated Electrons · Physics 2015-08-06 Erik G. C. P. van Loon , Hartmut Hafermann , Alexander I. Lichtenstein , Mikhail I. Katsnelson

In this work we introduce the Dual Boson Diagrammatic Monte Carlo technique for strongly interacting electronic systems. This method combines the strength of dynamical mean-filed theory for non-perturbative description of local correlations…

Strongly Correlated Electrons · Physics 2020-11-06 M. Vandelli , V. Harkov , E. A. Stepanov , J. Gukelberger , E. Kozik , A. Rubio , A. I. Lichtenstein

We present the combination of Density Functional Theory (DFT) and Dynamical Mean Field Theory (DMFT) for computing the electron transmission through two-terminals nanoscale devices. The method is then applied to metallic junctions…

Strongly Correlated Electrons · Physics 2022-09-14 Andrea Droghetti , Milos M. Radonjić , Liviu Chioncel , Ivan Rungger

The convergence to the self-consistency in the dynamical-mean-field-theory (DMFT) calculations for models of correlated electron systems can be significantly accelerated by using an appropriate mixing of hybridization functions which are…

Strongly Correlated Electrons · Physics 2009-11-11 Rok Zitko

Density matrix embedding theory (DMET) provides a framework to describe ground-state expectation values in strongly correlated systems, but its extension to dynamical quantities is still an open problem. We show one route to obtaining…

Strongly Correlated Electrons · Physics 2025-11-13 Shuoxue Li , Chenghan Li , Huanchen Zhai , Garnet Kin-Lic Chan

We provide a mathematical analysis of the Dynamical Mean-Field Theory, a celebrated representative of a class of approximations in quantum mechanics known as embedding methods. We start by a pedagogical and self-contained mathematical…

Mathematical Physics · Physics 2024-06-06 Éric Cancès , Alfred Kirsch , Solal Perrin-Roussel

We showcase the advantages of orbital-free density-potential functional theory (DPFT), a more flexible variant of Hohenberg-Kohn density functional theory. DPFT resolves the usual trouble with the gradient-expanded kinetic energy functional…

Quantum Gases · Physics 2021-06-16 Martin-Isbjörn Trappe , Jun Hao Hue , Berthold-Georg Englert

We study the low temperature transport characteristics of a disordered metal in the presence of electron-electron interactions. We compare Hartree-Fock and dynamical mean field theory (DMFT) calculations to investigate the scattering…

Strongly Correlated Electrons · Physics 2011-09-20 E. C. Andrade , E. Miranda , V. Dobrosavljevic

We derive an exact representation of the exchange-correlation energy within density functional theory (DFT) which spawns a class of approximations leading to correct long-range asymptotic behavior. In what amounts to be the simplest…

Materials Science · Physics 2009-11-10 Roi Baer , Daniel Neuhauser

In the study of correlated systems, approximations based on the dynamical mean-field theory (DMFT) provide a practical way to take local vertex corrections into account, which capture, respectively, particle-particle screening at weak…

Strongly Correlated Electrons · Physics 2021-10-06 Viktor Harkov , Alexander I. Lichtenstein , Friedrich Krien

Classical dynamical density functional theory (DDFT) has become one of the central modeling approaches in nonequilibrium soft matter physics. Recent years have seen the emergence of novel and interesting fields of application for DDFT. In…

Soft Condensed Matter · Physics 2023-03-21 Michael te Vrugt , Raphael Wittkowski

I review the quantum theory of the electron moving in a random environment. First, the quantum mechanics of individual particles scattered on a random potential is discussed. The quantum-mechanical description is extended to many-body…

Disordered Systems and Neural Networks · Physics 2021-09-13 Václav Janiš

We study the emergence of dynamical quantum phase transitions (DQPTs) in a half-filled one-dimensional lattice described by the extended Fermi-Hubbard model, based on tensor network simulations. Considering different initial states, namely…

Strongly Correlated Electrons · Physics 2022-04-29 Juan José Mendoza-Arenas