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Thermal and other transport coefficients were recently shown to be largely independent of the microscopic representation of the energy (current) densities or, more generally, of the relevant conserved densities/currents. In this paper we…

Computational Physics · Physics 2020-04-08 Aris Marcolongo , Loris Ercole , Stefano Baroni

We present an approach based upon binary tree tensor network (BTTN) states for computing steady-state current statistics for a many-particle 1D ratchet subject to volume exclusion interactions. The ratcheted particles, which move on a…

Statistical Mechanics · Physics 2023-01-02 Nils E. Strand , Hadrien Vroylandt , Todd R. Gingrich

Due to the strongly nonlocal nature of $f_{xc}({\bf r},{\bf r}',\omega)$ the {\em scalar} exchange and correlation (xc) kernel of the time-dependent density-functional theory (TDDFT), the formula for Q the friction coefficient of an…

Materials Science · Physics 2009-11-13 V. U. Nazarov , J. M. Pitarke , Y. Takada , G. Vignale , Y. -C. Chang

We develop a very general perturbative theory of time-dependent transport in a weak tunneling junction which is independent of experimental details and on many-body correlated states in the coupled conductors. These can be similar or…

Mesoscale and Nanoscale Physics · Physics 2014-01-24 Ines Safi

We use Density Functional Theory to study interacting spinless electrons on a one-dimensional quantum ring in the density range where the system undergoes Wigner crystallization. The Wigner transition leads to a drastic ``collective''…

Mesoscale and Nanoscale Physics · Physics 2007-11-20 Marc Siegmund , Markus Hofmann , Oleg Pankratov

The exact static and time-dependent Kohn-Sham (KS) exchange-correlation (xc) potential is extremely challenging to approximate as it is a local multiplicative potential that depends on the electron density everywhere in the system. The KS…

Strongly Correlated Electrons · Physics 2021-01-15 M. J. P. Hodgson , J. Wetherell

We investigate the effect of initial conditions on the fluctuations of the integrated density current across the origin ($x=0$) up to a given time $t$ in a one-dimensional system of non-interacting run-and-tumble particles. Each particle…

Statistical Mechanics · Physics 2024-07-02 Stephy Jose , Alberto Rosso , Kabir Ramola

The critical current density Jc in type-II conventional and high-Tc superconducting bulk materials is investigated based on the quantum theory for the vortex dynamics. It is shown that for a constant magnetic field, the critical current…

Superconductivity · Physics 2012-04-17 Ming Ju Chou , Wei Yeu Chen

The density linear response function for an inhomogeneous system of electrons in equilibrium with an array of fixed ions is considered. Two routes to its evaluation for extreme conditions (e.g., warm dense matter) are considered. The first…

Statistical Mechanics · Physics 2018-09-12 James Dufty , Kai Luo , S. B. Trickey

Real-time time-dependent density functional theory (TDDFT) is widely considered to be the most accurate available method for calculating electronic stopping powers from first principles, but there have been relatively few assessments of the…

Computational Physics · Physics 2024-01-18 Alina Kononov , Alexander J. White , Katarina A. Nichols , S. X. Hu , Andrew D. Baczewski

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 study nonequilibrium steady states of lattice gases with nearest-neighbor interactions that are driven between two reservoirs. Density profiles in these systems exhibit oscillations close to the reservoirs. We demonstrate that an…

Statistical Mechanics · Physics 2015-05-30 Marcel Dierl , Philipp Maass , Mario Einax

We develop a gradient-flow theory for time-dependent functionals defined in abstract metric spaces. Global well-posedness and asymptotic behavior of solutions are provided. Conditions on functionals and metric spaces allow to consider the…

Analysis of PDEs · Mathematics 2015-09-15 Lucas C. F. Ferreira , Julio C. Valencia-Guevara

A fundamental property of a quantum system driven by an external field is that when the field is turned off the positions of its response frequencies are independent of the time at which the field is turned off. We show that this leads to…

Chemical Physics · Physics 2015-05-29 Johanna I. Fuks , Kai Luo , Ernesto D. Sandoval , Neepa T. Maitra

It is shown that the density-potential mapping and the ${\cal V}$-representability problems in the time-dependent current density functional theory (TDCDFT) are reduced to the solution of a certain many-body nonlinear Schr\"odinger equation…

Strongly Correlated Electrons · Physics 2012-04-27 I. V. Tokatly

Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…

Physics Education · Physics 2010-12-07 Nathan Argaman , Guy Makov

According to a recent paper by G. Vignale [Phys. Rev. A 77, 062511 (2008), arXiv:0803.2727], the problems arising in the original derivation of time-dependent density functional theory (TDDFT) based on the Runge-Gross (RG) action-integral…

Other Condensed Matter · Physics 2012-08-07 J. Schirmer

A first principle theory of charge transport in spatially inhomogeneous quantum systems composed of any finite number of particles and subject to weak electro-magnetic fields is developed. Simple analytical expressions for the linear…

Statistical Mechanics · Physics 2007-05-23 Liudmila A. Pozhar

We formulate equations of time-dependent density functional theory (TDDFT) in the co-moving Lagrangian reference frame. The main advantage of the Lagrangian description of many-body dynamics is that in the co-moving frame the current…

Strongly Correlated Electrons · Physics 2009-11-10 I. V. Tokatly

In this work we establish a density-functional reformulation of coupled matter-photon problems subject to general external electromagnetic fields and charge currents. We first show that for static minimally-coupled matter-photon systems an…

Quantum Physics · Physics 2017-08-07 M. Ruggenthaler