Related papers: Density Profiles and Direct Correlation Functions …
A critical challenge for density functional theory (DFT) in practice is its limited ability to treat static electron correlation, leading to errors in its prediction of charges, multiradicals, and reaction barriers. Recently, we combined…
We present a modification to our recently published SAFT-based classical density functional theory for water. We have recently developed and tested a functional for the averaged radial distribution function at contact of the hard-sphere…
We investigate effects of optical lattice potential in one- and two-dimensional two-component trapped Fermi gases with population imbalances. Using the exact diagonalization and the density matrix renormalization group methods…
We study the dynamics of colloidal suspensions of hard spheres that are subject to Brownian motion in the overdamped limit. We obtain the time evolution of the self and distinct parts of the van Hove function by means of dynamical density…
Two-point density-density correlation functions for the diffusive binary reaction system $A+A\to\emptyset$ are obtained in one dimension via Monte Carlo simulation. The long-time behavior of these correlation functions clearly deviates from…
The onset of condensation of hard spheres in a gravitational field is studied using density functional theory. In particular, we find that the local density approximation yields results identical to those obtained previously using the…
We start from the Bethe-Goldstone equation (BGE) to derive a simple orbital-dependent correlation functional -- BGE2 -- which terminates the BGE expansion at the second-order, but retains the self-consistent coupling of electron-pair…
We investigate solutions of the 2d incompressible Euler equations, linearized around steady states which are radially decreasing vortices. Our main goal is to understand the smoothness of what we call the spectral density function…
A fluid of hard right isosceles triangles was studied using an extension of Scaled-Particle Density-Functional Theory which includes the exact third virial coefficient. We show that the only orientationally ordered stable liquid-crystal…
Recent work on local functional theories of critical inhomogeneous fluids and Ising-like magnets has shown them to be a potentially exact, or near exact, description of universal finite-size effects associated with the excess free-energy…
Density-functional theory is applied to compute the ground-state energies of quantum hard-sphere solids. The modified weighted-density approximation is used to map both the Bose and the Fermi solid onto a corresponding uniform Bose liquid,…
We numerically study the jamming transition of frictionless polydisperse spheres in three dimensions. We use an efficient thermalisation algorithm for the equilibrium hard sphere fluid and generate amorphous jammed packings over a range of…
Interfacial structure and correlation functions near a two-dimensional (2D) wedge filling transition are studied using effective interfacial Hamiltonian models. An exact solution for short range binding potentials and results for Kratzer…
The construction of density-functional approximations is explored by modeling the adiabatic connection em locally, using energy densities defined in terms of the electrostatic potential of the exchange-correlation hole. These local models…
Condensates of active particles such as cells form almost-crystalline lattices which play a central role in many biological systems. Typically, their properties have been determined merely by analogy to the rather trivial one-dimensional…
The organization of water molecules and ions between charged mineral surfaces determines the stability of colloidal suspensions and the strength of phase-separated particulate gels. In this article we assemble a density functional that…
Two basic correlation functions are calculated for a model of $N$ harmonically interacting identical particles in a parabolic potential well. The density and the pair correlation function of the model are investigated for the boson case.…
We propose microscopic density functional theory for inhomogeneous star polymers. Our approach is based on fundamental measure theory for hard spheres, and on Wertheim's first- and second-order perturbation theory for the interparticle…
We consider an anisotropic version of Baxter's model of `sticky hard spheres', where a nonuniform adhesion is implemented by adding, to an isotropic surface attraction, an appropriate `dipolar sticky' correction (positive or negative,…
The depletion potential between two hard spheres in a solvent of thin hard disclike platelets is investigated by using either the Derjaguin approximation or density functional theory. Particular attention is paid to the density dependence…