Related papers: On the Kohn-Sham equations with periodic backgroun…
We formulate a set of equations that facilitate an exact numerical solution of the Kohn-Sham potential for a finite Hubbard chain with nearest neighbour hopping and arbitrary site potentials. The approach relies on a mapping of the…
An interesting fundamental problem in density-functional theory of electronic structure of matter is to construct the exact Kohn-Sham (KS) potential for a given density. The exact potential can then be used to assess the accuracy of…
We are concerned with the existence and uniqueness of solutions with only bounded density for the barotropic compressible Navier-Stokes equations. Assuming that the initial velocity has slightly sub-critical regularity and that the initial…
We introduce a non-equilibrium density-functional theory of local temperature and associated local energy density that is suited for the study of thermoelectric phenomena. The theory rests on a local temperature field coupled to the…
Approach to the thermodynamic limit of a non-relativistic ideal gas in a periodic box is investigated. The single particle wave function obeys twisted boundary condition, $\psi(L)=e^{i\theta}\psi(0)$ for which the free particle spectrum is…
This work is devoted to the study of the initial boundary value problem for a general non isothermal model of capillary fluids derived by J.E Dunn and J.Serrin (1985), which can be used as a phase transition model. We distinguish two cases,…
We quantize a scalar field at finite temperature T in the background of a classical black hole, adopting 't Hooft's ``brick wall'' model with generic mixed boundary conditions at the brick wall boundary. We first focus on the exactly…
We introduce a general, variational scheme applied to Kohn-Sham density functional theory that allows for partitioning of the ground-state density matrix into distinct spectral domains, each of which spanned by an independent diagonal…
We establish the uniqueness of solutions to complex Monge-Amp\`ere mean field equations when the temperature parameter is small. In the local setting of bounded hyperconvex domains, our result partially confirms a conjecture by Berman and…
Predictivity of the Kohn-Sham approach to dynamical problems, when regarded as an initial value problem in a time-dependent density functional framework, is analysed for a class of models for which the argument devised in the work of Maitra…
A new framework is presented for evaluating the performance of self-consistent field methods in Kohn-Sham density functional theory. The aims of this work are two-fold. First, we explore the properties of Kohn-Sham density functional theory…
Our aim in this paper is to study the Cahn-Hilliard equation with singular potentials and dynamic boundary conditions. In particular, we prove, owing to proper approximations of the singular potential and a suitable notion of variational…
This paper provides two results that are useful in the study of the existence and the stability properties of a periodic solution for a given dynamical system. The first result deals with scalar time-periodic systems and establishes the…
We propose a new generalised Kohn-Sham or constrained hybrid method, where the exchange potential is the (equally weighted) average of the nonlocal Fock exchange term and the self-interaction-corrected exchange potential, as obtained from…
A long-standing puzzle in density-functional theory is the issue of the long-range behavior of the Kohn-Sham exchange-correlation potential at metal surfaces. As an important step towards its solution, it is proved here, through a rigurouos…
In this paper, we consider the 3-D compressible isentropic radiation hydrodynamics (RHD) equations. The local existence of strong solutions with vacuum is firstly established when the initial data is arbitrarily large, contains vacuum and…
The self consistent version of the density functional theory is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems. An exact functional equation for the effective interaction, from…
We present explicit expressions of the thermodynamic volume inside and outside the cosmological horizon of Eguchi-Hanson solitons in general odd dimensions. These quantities are calculable and well-defined regardless of whether or not the…
In this work, we revisit the thermodynamical self-consistency of the quasiparticle model with the finite baryon chemical potential adjusted to lattice QCD calculations. Here, we investigate the possibility that the effective quasiparticle…
The finite temperature one-loop effective potential for a scalar field defined on an ultrastatic spacetime, whose spatial part is a compact hyperbolic manifold, is studied. Different analytic expressions, especially valuable at low and high…