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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…

软凝聚态物质 · 物理学 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…

软凝聚态物质 · 物理学 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…

软凝聚态物质 · 物理学 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…

强关联电子 · 物理学 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…

强关联电子 · 物理学 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…

统计力学 · 物理学 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…

材料科学 · 物理学 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…

统计力学 · 物理学 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…

强关联电子 · 物理学 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…

强关联电子 · 物理学 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…

核理论 · 物理学 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…

强关联电子 · 物理学 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.…

量子物理 · 物理学 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…

强关联电子 · 物理学 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…

强关联电子 · 物理学 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…

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…

统计力学 · 物理学 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…

化学物理 · 物理学 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…

无序系统与神经网络 · 物理学 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…

无序系统与神经网络 · 物理学 2010-07-09 Ulf Bissbort , Ronny Thomale , Walter Hofstetter