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Stochastic density functional theory is applied to analyze the conductivity of strong two species electrolytes at arbitrary field strengths. The corresponding stochastic equations for the density of the electrolyte species are solved by…

Statistical Mechanics · Physics 2016-05-04 Vincent Démery , David S Dean

The dynamics of strongly interacting trapped dilute Fermi gases (dilute in the sense that the range of interatomic potential is small compared with inter-particle spacing) is investigated in a single-equation approach to the time-dependent…

Soft Condensed Matter · Physics 2009-02-05 Yeong E. Kim , Alexander L. Zubarev

Most present applications of time-dependent density functional theory use adiabatic functionals, i.e. the effective potential at time t is determined solely by the density at the same time. This paper discusses a method that aims to go…

Strongly Correlated Electrons · Physics 2009-11-10 Yair Kurzweil , Roi Baer

Time-dependent (current) density functional theory for many-electron systems strongly coupled to quantized electromagnetic modes of a microcavity is proposed. It is shown that the electron-photon wave function is a unique functional of the…

Mesoscale and Nanoscale Physics · Physics 2013-12-10 I. V. Tokatly

We introduce a density functional formalism to study the ground-state properties of strongly-correlated dipolar and ionic ultracold bosonic and fermionic gases, based on the self-consistent combination of the weak and the strong coupling…

It is shown that in adiabatic approximation for nuclei the many-component Coulomb system cannot be described on the basis of the grand canonical ensemble. Using the variational Bogolyubov's procedure for the free energy, the Hohenberg-Kohn…

Statistical Mechanics · Physics 2010-04-07 V. B. Bobrov , S. A. Trigger

We examine the density-functional theory of macroscopic insulators, obtained in the large-cluster limit or under periodic boundary conditions. For polar crystals, we find that the two procedures are not equivalent. In a large-cluster case,…

Materials Science · Physics 2009-10-28 X. Gonze , Ph. Ghosez , R. W. Godby

We present a variational formulation of Time-Dependent Density Functional Theory similar to the constrained-search variational formulation of ground-state density-function theory. The formulation is applied to justify the time-dependent…

Other Condensed Matter · Physics 2012-10-26 Jérôme Daligault

We present a first-principles approach to describe magnetic and superconducting systems and the phenomena of competition between these electronic effects. We develop a density functional theory: SpinSCDFT, by extending the Hohenberg-Kohn…

Superconductivity · Physics 2016-05-10 A. Linscheid , A. Sanna , F. Essenberger , E. K. U. Gross

We present a microscopic theory for superfluidity in an interacting many-particle Bose system (such as liquid $^4$He). We show that, similar to superconductivity in superconductors, superfluidity in a Bose system arises from pairing of…

Superconductivity · Physics 2009-03-12 Zhidong Hao

Vignale and Kohn have recently formulated a local density approximation to the time-dependent linear response of an inhomogeneous electron system in terms of a vector potential for exchange and correlation. The vector potential depends on…

Statistical Mechanics · Physics 2007-05-23 M. P. Tosi , M. L. Chiofalo , A. Minguzzi , R. Nifosi`

Given a vector space of microscopic quantum observables, density functional theory is formulated on its dual space. A generalized Hohenberg-Kohn theorem and the existence of the universal energy functional in the dual space are proven. In…

Nuclear Theory · Physics 2009-09-25 G. Rosensteel , Ts. Dankova

A new formalism to describe steady-state electronic and thermal transport in the framework of density functional theory is presented. A one-to-one correspondence is proven between the three basic variables of the theory, i.e., the density…

Mesoscale and Nanoscale Physics · Physics 2022-04-26 Nahual Sobrino , Florian Eich , Gianluca Stefanucci , Roberto D'Agosta , Stefan Kurth

We present a new time-dependent Density Functional approach to study the relaxational dynamics of an assembly of interacting particles subject to thermal noise. Starting from the Langevin stochastic equations of motion for the velocities of…

Statistical Mechanics · Physics 2016-08-31 Umberto Marini Bettolo Marconi , Pedro Tarazona

In the framework of density functional theory a formalism to describe electronic transport in the steady state is proposed which uses the density on the junction and the {\em steady current} as basic variables. We prove that, in a finite…

Mesoscale and Nanoscale Physics · Physics 2016-01-12 G. Stefanucci , S. Kurth

We introduce a new class of exchange-correlation potentials for a static and time-dependent Density Functional Theory of strongly correlated systems in 3D. The potentials are obtained via Dynamical Mean Field Theory and, for strong enough…

Strongly Correlated Electrons · Physics 2015-05-18 Daniel Karlsson , Antonio Privitera , Claudio Verdozzi

Current-carrying and superconducting systems can be treated within density-functional theory if suitable additional density variables (the current density and the superconducting order parameter, respectively) are included in the…

Materials Science · Physics 2009-11-07 K. Capelle , G. Vignale

We prove that the electron density function of a real physical system can be uniquely determined by its values on any finite subsystem. This establishes the existence of a rigorous density-functional theory for any open electronic system.…

Quantum Physics · Physics 2007-05-23 Xiao Zheng , Fan Wang , GuanHua Chen

In time-dependent density-functional theory, exchange and correlation (xc) beyond the adiabatic local density approximation can be described in terms of viscoelastic stresses in the electron liquid. In the time domain, this leads to a…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 H. O. Wijewardane , C. A. Ullrich

The Hohenberg-Kohn theorem plays a fundamental role in density functional theory, which has become a basic tool for the study of electronic structure of matter. In this article, we study the Hohenberg-Kohn theorem for a class of external…

Chemical Physics · Physics 2017-09-22 Aihui Zhou