Related papers: Current Densities in Density Functional Theory
The wave spin of an electron can be fully characterized by the current density calculated from the exact four-spinor solution of the Dirac equation. In the excited states of the electron in a magnetic field-free quantum well, the current…
Consider a real Gaussian stationary process $f_\rho$, indexed on either $\mathbb{R}$ or $\mathbb{Z}$ and admitting a spectral measure $\rho$. We study $\theta_{\rho}^\ell=-\lim\limits_{T\to\infty}\frac{1}{T}…
This paper describes a new solution formulation for fully nonlinear and unsteady planar flow of an electron beam in a diode. Using characteristic variables - i.e., variables that follow particle paths - the solution is expressed through an…
In this paper we study the existence of ground state solution and concentration of maxima for a class of strongly indefinite problem like $$ \left\{\begin{array}{l} -\Delta u+V(x)u=A(\epsilon x)f(u) \quad \mbox{in} \quad \R^{N}, \\ u\in…
We add extreme driving to the Kob-Andersen kinetically-constrained lattice-gas model in order to mimic the effect of gravity on dense granular systems. For low particle densities, the current that develops in the system agrees at arbitrary…
The clearing up of a wave nature of the energy and mass transfer phenomena in classical expressions of the molecular-kinetic theory has allowed to find a quantitative measure of intensity of processes of a thermal conductivity, viscosity…
We have used density functional theory to study the nonlinear screening properties of a two-dimensional (2D) electron gas. In particular, we consider the screening of an external static point charge of magnitude Z as a function of the…
We study in this article the mathematical properties of a class of orbital-free kinetic energy functionals. We prove that these models are linearly stable but nonlinearly unstable, in the sense that the corresponding kinetic energy…
The conditions for observation of the particle coordinates, required by logic of the Special Relativity and filtering the quantum field effects, are described. A general relation between the corresponding density of probability and the wave…
It is shown that the exchange-correlation part of the action functional $A_{xc}[\rho (\vec r,t)]$ in time-dependent density functional theory , where $\rho (\vec r,t)$ is the time-dependent density, is invariant under the transformation to…
Rechargeable redox flow batteries with serpentine flow field designs have been demonstrated to deliver higher current density and power density in medium and large-scale stationary energy storage applications. Nevertheless, the fundamental…
In a recent letter [Europhys. Lett. 95, 13001 (2011)] the question of whether the density of a time-dependent quantum system determines its external potential was reformulated as a fixed point problem. This idea was used to generalize the…
We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of…
By combining methods of kinetic and density functional theory, we present a description of molecular fluids which accounts for their microscopic structure and thermodynamic properties as well as for the hydrodynamic behavior. We focus on…
Nonlinear waves are a robust phenomenon observed in complex systems ranging from mechanics to ecology. Fronts are fundamental due to their robustness against perturbations and capacity to propagate one state over another. Controlling and…
We calculate the ground-state energy, pair correlation function, static structure factor, and momentum density of the one-dimensional electron fluid at high density using variational quantum Monte Carlo simulation. For an infinitely thin…
The stochastic $R$ matrix for $U_q(A^{(1)}_n)$ introduced recently gives rise to an integrable zero range process of $n$ classes of particles in one dimension. For $n=2$ we investigate how finitely many first class particles fixed as…
We investigate the density large deviation function for a multidimensional conservation law in the vanishing viscosity limit, when the probability concentrates on weak solutions of a hyperbolic conservation law conservation law. When the…
We study the spectral densities of (pseudo)scalar currents at finite temperature in general case when mass of two quarks are different. Such spectral densities are necessary for the phenomenological investigation of hadronic parameters. We…
We study density currents associated with a collection of positive closed (1,1)-currents. We prove that the density current is unique and determined by the usual wedge product in some classical situations including the case where the…