Related papers: Becke-Johnson-type exchange potential for two-dime…
A spin angular gradient approximation for the exchange correlation magnetic field in the density functional formalism is proposed. The usage of such corrections leads to a consistent spin dynamical approach beyond the local approximation.…
We develop a quantum kinetic theory of two-dimensional electron gases in which exchange is treated self-consistently at the Hartree-Fock level and enters as a nonlocal, momentum-dependent field in phase space. By starting from the Coulomb…
The frequency-dependent exchange-correlation potential, which appears in the usual Kohn-Sham formulation of a time-dependent linear response problem, is a strongly nonlocal functional of the density, so that a consistent local density…
We study the phase diagram of a two-dimensional assembly of bosons interacting via a soft core repulsive pair potential of varying strength, and compare it to that of the equivalent system in which particles are regarded as distinguishable.…
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…
We study the transport properties of two electrons in a quasi one-dimensional disordered wire. The electrons are subject to both, a disorder potential and a short range two-body interaction. Using the approach developed by Iida et al. […
We propose exchanging the energy functionals in ground-state DFT with physically equivalent exact force expressions as a new promising route towards approximations to the exchange-correlation potential and energy. In analogy to the usual…
Quantum rings can be characterized by a specific radius and ring width. For this rich class of physical systems, an accurate approximation for the exchange-hole potential and thus for the exchange energy is derived from first principles.…
We prove two equilibrium properties of a system of interacting atoms in three or higher dimensional continuous space. (i) If the particles interact via pair potentials of a nonnegative Fourier transform, their self-organization into…
In this third paper of a series that started with arXiv:2106.10032 [math-ph] and continued with arXiv:2108.02659 [math-ph] we show that in $d\geq 3$ dimensions at low temperatures or high densities bosons interacting via pair potentials…
The most widely-used density functionals for the exchange-correlation energy are inexact for one-electron systems. Their self-interaction errors can be severe in some applications. The problem is not only to correct the self-interaction…
The exchange algorithm is one of the most popular extensions of the Metropolis--Hastings algorithm to sample from doubly-intractable distributions. However, the theoretical exploration of the exchange algorithm is very limited. For example,…
The theory of ultracold, dilute Bose gases is the subject of intensive studies, driven by new experimental applications, which also motivate the study of Bose-Einstein condensation (BEC) in low dimensions. From the theoretical point of view…
Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional…
Phase transitions are ubiquitous in our three-dimensional world. By contrast most conventional transitions do not occur in infinite uniform two-dimensional systems because of the increased role of thermal fluctuations. Here we explore the…
It seems self-evident that a density functional calculation should be normalized to the number of electrons in the system. We present multiple examples where the accuracy of the approximate energy is improved (sometimes greatly) by…
This paper investigates two conjectures for calculating the density dependence of the density-scaling exponent of a single-component, pair-potential liquid with strong virial potential-energy correlations. The first conjecture gives an…
Over the past few years it has been pointed out that direct inversion of accurate but approximate ground state densities leads to Kohn-Sham exchange-correlation (xc) potentials that can differ significantly from the exact xc potential of a…
In this article we will develop some techniques aimed at the strong couplings in two-dimensional wave-Klein-Gordon system. We distinguish the roles of different type of decay factors and develop a method which permits us to "exchange" one…
One-dimensional multi-component Fermi or Bose systems with strong zero-range interactions can be described in terms of local exchange coefficients and mapping the problem into a spin model is thus possible. For arbitrary external confining…