Related papers: A Kohn-Sham system at zero temperature
In this paper, we present a completely rigorous formulation of Kohn-Sham density functional theory for spinless fermions living in one dimensional space. More precisely, we consider Schr\"odinger operators of the form $H_N(v,w) = -\Delta +…
The formalism developed in the first paper of the series [arXiv:0901.1060] is applied to two thermodynamic systems: (i) of three global observables (the energy, the total electron number and the spin number), (ii) of one global observable…
The Kohn-Sham (KS) equations determine, in a self-consistent way, the particle density of an interacting fermion system at thermal equilibrium. We consider a situation when the KS equations are known to have a unique solution at high…
As a proof of principle, self-consistent Kohn--Sham calculations are performed with the exact exchange-correlation functional. Finding the exact functional for even one trial density requires solving the interacting Schr\"odinger equation…
Aiming at a unified treatment of correlation and inhomogeneity effects in superconductors, Oliveira, Gross and Kohn proposed in 1988 a density functional theory for the superconducting state. This theory relies on the existence of a…
In this work, the zero-temperature limit of the thermodynamic spin-density functional theory is investigated. The coarse-grained approach to the equilibrium density operator is used to describe the equilibrium state. The characteristic…
We study the question of existence and uniqueness for the finite temperature Kohn-Sham equations. For finite volumes, a unique soluion is shown to exists if the effective potential satisfies a set of general conditions and the coupling…
The properties of the Kohn-Sham (KS) exchange potential for open systems in thermodynamical equilibrium, where the number of particles is non-conserved, are analyzed with the Optimized Effective Potential (OEP) method of Density Functional…
Recent progress in the synthesis and processing of nano-structured materials and systems calls for an improved understanding of thermal properties on small length scales. In this context, the question whether thermodynamics and, in…
Kohn-Sham spin-density functional theory provides an efficient and accurate model to study electron-electron interaction effects in quantum dots, but its application to large systems is a challenge. An efficient algorithm for the…
We present an \textit{ab initio} theory for superconductors, based on a unique mapping between the statistical density operator at equilibrium, on the one hand, and the corresponding one-body reduced density matrix $\gamma$ and the…
A two-dimensional dipolar Fermi gas in harmonic trap under rotation is studied by solving "ab initio" Kohn-Sham equations. The physical parameters used match those of ultracold gas of fermionic $^{23}Na^{40}K$ molecules, a prototype system…
In this paper, a new analysis for existence, uniqueness, and regularity of solutions to a time-dependent Kohn-Sham equation is presented. The Kohn-Sham equation is a nonlinear integral Schroedinger equation that is of great importance in…
The dynamics of spin-boson systems at very low temperatures has been studied using a real-time path-integral simulation technique which combines a stochastic Monte Carlo sampling over the quantum fluctuations with an exact treatment of the…
The purpose of this article is to extend the work by Anantharaman and Canc\`es [1], and prove the existence of minimizers for the spin-polarized Kohn-Sham model in the presence of a magnetic field within the local spin density…
We study the problem of energy relaxation in a one-dimensional electron system. The leading thermalization mechanism is due to three-particle collisions. We show that for the case of spinless electrons in a single channel quantum wire the…
A mean field spherical model with random couplings between pairs, quartets, and possibly higher multiplets of spins is considered. It has the same critical behavior as the Sherrington-Kirkpatrick model. It thus exhibits replica symmetry…
We interpret the recent observation of a zero-bias anomaly in spin-1 quantum dots in terms of an underscreened Kondo effect. Although a spin-1 quantum dots are expected to undergo a two-stage quenching effect, in practice the log normal…
We outline a general approach to the computation of transport properties of interacting systems at low temperetures and frequencies. We show that if the fixed point and the irrelevant operators around it are known, then by studying the…
The Hohenberg-Kohn theorem and Kohn-Sham procedure are extended to functionals of the localized intrinsic density of a self-bound system such as a nucleus. After defining the intrinsic-density functional, we modify the usual Kohn-Sham…