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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

We show, using a tight-binding model and time-dependent density-functional theory, that a quasi-steady state current can be established dynamically in a finite nanoscale junction without any inelastic effects. This is simply due to the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Neil Bushong , Na Sai , Massimiliano Di Ventra

We study consequences of gauge invariance and charge conservation of an electron gas in a strong random potential perturbed by a weak electromagnetic field. We use quantum equations of motion and Ward identities for one- and two-particle…

Disordered Systems and Neural Networks · Physics 2008-09-16 V. Janis , J. Kolorenc , V. Spicka

A time-dependent current-density-functional theory for many-particle systems in interaction with arbitrary external baths is developed. We prove that, given the initial quantum state $|\Psi_0>$ and the particle-bath interaction operator,…

Mesoscale and Nanoscale Physics · Physics 2007-06-13 Massimiliano Di Ventra , Roberto D'Agosta

The selection of basic variables in current-density functional theory and formal properties of the resulting formulations are critically examined. Focus is placed on the extent to which the Hohenberg--Kohn theorem, constrained-search…

Materials Science · Physics 2015-06-11 Erik I. Tellgren , Simen Kvaal , Espen Sagvolden , Ulf Ekström , Andrew M. Teale , Trygve Helgaker

Nanoscale optoelectronics and molecular-electronics systems operate with current injection and nonequilibrium tunneling, phenomena that challenge consistent descriptions of the steady-state transport. The current affects the…

Other Condensed Matter · Physics 2009-11-13 Per Hyldgaard

The central quantity of density functional theory is the so-called exchange-correlation functional. This quantity encompasses all non-trivial many-body effects of the ground-state and has to be approximated in any practical application of…

Materials Science · Physics 2012-06-29 Miguel A. L. Marques , Micael J. T. Oliveira , Tobias Burnus

We present an alternative to the Kohn-Sham formulation of density functional theory for the ground-state properties of strongly interacting electronic systems. The idea is to start from the limit of zero kinetic energy and systematically…

Strongly Correlated Electrons · Physics 2015-05-13 Paola Gori-Giorgi , Michael Seidl , G. Vignale

We review the recent progress in the density functional theory for superconductors (SCDFT). Motivated by the long-studied plasmon mechanism of superconductivity, we have constructed an exchange-correlation kernel entering the SCDFT gap…

Superconductivity · Physics 2015-06-18 Ryosuke Akashi , Ryotaro Arita

An exchange-correlation energy functional $ E_{\mathrm xc} $ and the resultant exchange-correlation potential $ v_{\mathrm xc}({\bf r}) $ in density-functional theory are proposed using orbital-dependent coupling-constant-averaged pair…

Strongly Correlated Electrons · Physics 2007-05-23 Hiroshi Yasuhara , Masahiko Higuchi , Yoshiyuki Kawazoe

Superconductivity in the t-J model is studied by extending the recently introduced extremely correlated fermi liquid theory. Exact equations for the Greens functions are obtained by generalizing Gor'kov's equations to include extremely…

Superconductivity · Physics 2021-10-05 B Sriram Shastry

A simple model for simulating the current dynamics and the magnetic properties of superconductors is presented. Short simulation times are achieved by solving the differential form of Maxwell's equations inside the sample, whereas…

Superconductivity · Physics 2009-09-28 M. Zehetmayer

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

Electronic structure calculations are routinely carried out within the framework of density-functional theory, often with great success. For electrons in reduced dimensions, however, there is still a need for better approximations to the…

Strongly Correlated Electrons · Physics 2009-09-22 S. Pittalis , E. Rasanen , E. K. U. Gross

We study the competing charge-density-wave and superconducting order in the attractive Hubbard model under a voltage bias, using steady-state non-equilibrium dynamical mean-field theory. We show that the charge-density-wave is suppressed in…

Superconductivity · Physics 2018-12-19 Anne Matthies , Jiajun Li , Martin Eckstein

Density-functional theory requires ever better exchange-correlation (xc) functionals for the ever more precise description of many-body effects on electronic structure. Universal constraints on the xc energy are important ingredients in the…

Chemical Physics · Physics 2009-11-13 Mariana M. Odashima , K. Capelle

Properties of superfluid states of two-dimensional electron systems with critical antiferromagnetic fluctuations are investigated. These correlations are found to result in the emergence of rapidly varying in the momentum space terms in all…

Strongly Correlated Electrons · Physics 2009-11-10 V. A. Khodel , V. M. Yakovenko

We use spin-density functional theory to obtain novel expressions for the charge and spin local-field factors of an electron gas in terms of its electron-pair structure factors. These expressions (i) satisfy the compressibility and spin…

Strongly Correlated Electrons · Physics 2009-11-07 B. Davoudi , M. Polini , M. P. Tosi

This is the second and the final part of the review on density functional theory (DFT), referred to as DFT-II. In the first review, DFT-I, we have discussed wavefunction-based methods, their complexity, and the basic of density functional…

Materials Science · Physics 2023-05-25 Ashish Kumar , Prashant Singh , Manoj K. Harbola

The dynamical, long-wavelength longitudinal and transverse exchange-correlation potentials for a homogeneous electron gas are evaluated in a microscopic model based on an approximate decoupling of the equation of motion for the…

Condensed Matter · Physics 2009-10-30 S. Conti , R. Nifosi' , M P Tosi