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The predictive accuracy of density functional theory (DFT) for alloy formation enthalpies is often limited by intrinsic energy resolution errors, particularly in ternary phase stability calculations. In this work, we present a machine…

Materials Science · Physics 2025-03-10 Sergei I. Simak , Erna K. Delczeg-Czirjak , Olle Eriksson

We show that the numerical renormalization group (NRG) is a viable multi-band impurity solver for Dynamical Mean Field Theory (DMFT), offering unprecedent real-frequency spectral resolution at arbitrarily low energies and temperatures. We…

Strongly Correlated Electrons · Physics 2015-09-30 K. M. Stadler , A. Weichselbaum , Z. P. Yin , J. von Delft , G. Kotliar

We study the magnetic field driven metal-to-insulator transition in half-filled Hubbard model on the Bethe lattice, using the dynamical mean-field theory by solving the quantum impurity problem with density-matrix renormalization group…

Strongly Correlated Electrons · Physics 2017-09-13 W. Zhu , D. N. Sheng , Jian-Xin Zhu

Recovering a high dynamic range (HDR) image from a single low dynamic range (LDR) image, namely inverse tone mapping (ITM), is challenging due to the lack of information in over- and under-exposed regions. Current methods focus exclusively…

Image and Video Processing · Electrical Eng. & Systems 2022-04-12 Juan Borrego-Carazo , Mete Ozay , Frederik Laboyrie , Paul Wisbey

We present a vibrational dynamical mean-field theory (VDMFT) of the dynamics of atoms in solids with anharmonic interactions. Like other flavors of DMFT, VDMFT maps the dynamics of a periodic anharmonic lattice of atoms onto those of a…

Materials Science · Physics 2022-08-10 Petra Shih , Timothy C. Berkelbach

The natural orbitals renormalization group (NORG) has previously been proposed as an efficient numerical method for solving zero-temperature properties of multisite and multiorbital quantum impurity systems. Here, we implement the NORG as…

Strongly Correlated Electrons · Physics 2022-09-29 Jia-Ming Wang , Yin Chen , Yi-Heng Tian , Rong-Qiang He , Zhong-Yi Lu

Impurity solvers play an essential role in the numerical investigation of strongly correlated electrons systems within the "dynamical mean field" approximation. Recently, a new class of continuous-time solvers has been developed, based on a…

Strongly Correlated Electrons · Physics 2011-11-09 Emanuel Gull , Philipp Werner , Andrew J. Millis , Matthias Troyer

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…

Strongly Correlated Electrons · Physics 2016-08-31 M. Potthoff , W. Nolting

Dynamical Mean-Field Theory (DMFT) is a powerful theoretical framework for analyzing systems with many interacting degrees of freedom. This tutorial provides an accessible introduction to DMFT. We begin with a linear model where the DMFT…

Disordered Systems and Neural Networks · Physics 2025-07-23 Emmy Blumenthal

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…

Strongly Correlated Electrons · Physics 2020-07-16 Dieter Vollhardt

We propose a minimal effective impurity model that captures the phenomenology of the Mott-Hubbard metal-insulator transition (MIT) of the half-filled Hubbard model on the Bethe lattice in infinite dimensions as observed by dynamical mean…

Strongly Correlated Electrons · Physics 2023-11-14 Abhirup Mukherjee , N. S. Vidhyadhiraja , A. Taraphder , Siddhartha Lal

We provide a review of recently-develop dynamical mean-field theory (DMFT) approaches to the general problem of strongly correlated electronic systems with disorder. We first describe the standard DMFT approach, which is exact in the limit…

Strongly Correlated Electrons · Physics 2023-02-16 E. Miranda , V. Dobrosavljevic

A technique allowing for a perturbative treatment of nonlocal corrections to the single-site dynamical mean-field theory (DMFT) in finite dimensions is developed. It is based on the observation that in the case of strong electron…

Strongly Correlated Electrons · Physics 2008-06-02 V. I. Tokar , R. Monnier

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…

Strongly Correlated Electrons · Physics 2014-04-28 Robert Peters , Norio Kawakami

Quantifying charge-state transition energy levels of impurities in semiconductors is critical to understanding and engineering their optoelectronic properties for applications ranging from solar photovoltaics to infrared lasers. While these…

Materials Science · Physics 2022-03-22 Maciej P. Polak , Ryan Jacobs , Arun Mannodi-Kanakkithodi , Maria K. Y. Chan , Dane Morgan

Nanoscale physics and dynamical mean field theory have both generated increased interest in complex quantum impurity problems and so have focused attention on the need for flexible quantum impurity solvers. Here we demonstrate that the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Jaebeom Yoo , Shailesh Chandrasekharan , Ribhu K. Kaul , Denis Ullmo , Harold U. Baranger

Learning from an imbalanced dataset is a tricky proposition. Because these datasets are biased towards one class, most existing classifiers tend not to perform well on minority class examples. Conventional classifiers usually aim to…

Machine Learning · Computer Science 2022-07-18 Tanujit Chakraborty , Ashis Kumar Chakraborty

The combination of density functional theory with dynamical mean-field theory (DFT+DMFT) has become a powerful first-principles approach to tackle strongly correlated materials in condensed matter physics. The wide use of this approach…

Strongly Correlated Electrons · Physics 2022-05-10 Xin Qu , Peng Xu , Rusong Li , Gang Li , Lixin He , Xinguo Ren

The nonequilibrium Green's functions (NEGF) approach is a versatile theoretical tool, which allows to describe the electronic structure, spectroscopy and dynamics of strongly correlated systems. The applicability of this method is, however,…

Strongly Correlated Electrons · Physics 2018-06-27 Michael Schüler , Martin Eckstein , Philipp Werner

An approximate analytical scheme of the dynamical mean field theory (DMFT) is developed for the description of the electron (ion) lattice systems with Hubbard correlations within the asymmetric Hubbard model where the chemical potentials…

Strongly Correlated Electrons · Physics 2009-11-11 Ihor V. Stasyuk , Orest B. Hera