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We examine the out-of-equilibrium dynamical evolution of density profiles of ultrasoft particles under time-varying external confining potentials in three spatial dimensions. The theoretical formalism employed is the dynamical density…

Soft Condensed Matter · Physics 2009-11-10 J. Dzubiella , C. N. Likos

Classical density functional theory (DFT) provides an exact variational framework for determining the equilibrium properties of inhomogeneous fluids. We report a generalization of DFT to treat the non-equilibrium dynamics of classical…

Soft Condensed Matter · Physics 2013-09-06 Matthias Schmidt , Joseph M. Brader

We present dynamic density functional theory (DDFT) incorporating general inhomogeneous, incompressible, time dependent background flows and inertia, describing externally driven passive colloidal systems out of equilibrium. We start by…

Soft Condensed Matter · Physics 2024-09-11 Rory D. Mills-Williams , Benjamin D. Goddard , Andrew J. Archer

The dynamical mean field theory (DMFT) has become a standard technique for the study of strongly correlated models and materials overcoming some of the limitations of density functional approaches based on local approximations. An important…

Strongly Correlated Electrons · Physics 2015-10-28 K. Hallberg , D. J. García , Pablo S. Cornaglia , Jorge I. Facio , Y. Núñez-Fernández

Most realistic calculations of moderately correlated materials begin with a ground-state density functional theory (DFT) calculation. While Kohn-Sham DFT is used in about 40,000 scientific papers each year, the fundamental underpinnings are…

Strongly Correlated Electrons · Physics 2022-09-26 Kieron Burke , John Kozlowski

Modeling many-body quantum systems with strong interactions is one of the core challenges of modern physics. A range of methods has been developed to approach this task, each with its own idiosyncrasies, approximations, and realm of…

Statistical Mechanics · Physics 2018-11-21 Brett Larder , Dirk Gericke , Scott Richardson , Paul Mabey , Thomas White , Gianluca Gregori

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

We show how to apply the macroscopic fluctuation theory (MFT) of Bertini, De Sole, Gabrielli, Jona-Lasinio, and Landim to study the current fluctuations of diffusive systems with a step initial condition. We argue that one has to…

Statistical Mechanics · Physics 2015-05-13 B. Derrida , A. Gerschenfeld

We give an elementary introduction to a recent diagrammatic extension of dynamical mean field theory (DMFT) coined dynamical vertex approximation (D$\Gamma$A). This approach contains the important local correlations of DMFT, giving, among…

Strongly Correlated Electrons · Physics 2009-03-18 K. Held , A. A. Katanin , A. Toschi

In recent years, a method for computing spin dynamics at infinite temperature (spinDMFT) was developed. It utilizes the ideas of dynamical mean-field theory for fermions: single-site approximation and a self-consistency condition to…

Strongly Correlated Electrons · Physics 2026-04-24 Przemysław Bieniek , Timo Gräßer , Götz S. Uhrig

The current generation of covariant mean-field models has had many successes in calculations of bulk observables for medium to heavy nuclei, but there remain many open questions. New challenges are confronted when trying to systematically…

Nuclear Theory · Physics 2017-01-25 R. J. Furnstahl

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

Recent developments in quantum hardware and quantum algorithms have made it possible to utilize the capabilities of current noisy intermediate-scale quantum devices for addressing problems in quantum chemistry and condensed matter physics.…

Quantum Physics · Physics 2023-05-01 Steffen Backes , Yuta Murakami , Shiro Sakai , Ryotaro Arita

The Iterated Perturbation Theory (IPT) equations of the Dynamical Mean Field Theory (DMFT) for the half-filled Hubbard model, are solved on nearly real frequencies at various values of the Hubbard parameters $U$, to investigate the nature…

Strongly Correlated Electrons · Physics 2008-08-05 M. B. Fathi , S. A. Jafari

We introduce the unification of dynamical mean field theory (DMFT) and linear-scaling density functional theory (DFT), as recently implemented in ONETEP, a linear-scaling DFT package, and TOSCAM, a DMFT toolbox. This code can account for…

Strongly Correlated Electrons · Physics 2020-05-04 Edward B. Linscott , Daniel J. Cole , Nicholas D. M. Hine , Michael C. Payne , Cédric Weber

We formulate a quantum embedding algorithm in real-space for the simultaneous theoretical treatment of nonlocal electronic correlations and disorder, the coherent cellular dynamical mean-field theory (C-CDMFT). This algorithm combines the…

Strongly Correlated Electrons · Physics 2026-01-09 Patrick Tscheppe , Marcel Klett , Henri Menke , Sabine Andergassen , Niklas Enderlein , Philipp Hansmann , Thomas Schäfer

We present an extension of the density-functional theory (DFT) formalism for lattice gases to systems with internal degrees of freedom. In order to test approximations commonly used in DFT approaches, we investigate the statics and dynamics…

Statistical Mechanics · Physics 2009-11-10 S. Heinrichs , W. Dieterich , P. Maass , H. L. Frisch

Ideal density-functional approximations (DFAs) should account for dynamic, static, and nondynamic correlation. While common DFAs struggle with the latter two, the Ziegler-Rauk-Baerends-Daul multiplet sum method (MSM) provides a pragmatic…

Chemical Physics · Physics 2026-05-29 Mark E Casida , Abraham Ponra , Gadzikano Munyuki , Bharathi Natarajan

Understanding the dynamics of systems evolving in complex and rugged energy landscapes is central across physics, economics, biology, and computer science. Disordered mean-field models provide a powerful framework, as exact Dynamical…

Disordered Systems and Neural Networks · Physics 2026-04-09 Johannes Lang , Vincenzo Citro , Luca Leuzzi , Federico Ricci-Tersenghi

We discuss the stochastic mean-field theory (SMFT) method which is a new approach for describing disordered Bose systems in the thermodynamic limit including localization and dimensional effects. We explicate the method in detail and apply…

Disordered Systems and Neural Networks · Physics 2010-07-09 Ulf Bissbort , Ronny Thomale , Walter Hofstetter