Related papers: Direct correlation functions and bridge functions …
We use replica exchange Monte-Carlo simulations to measure the equilibrium equation of state of the disordered fluid state for a binary hard sphere mixture up to very large densities where standard Monte-Carlo simulations do not easily…
The properties of the ground state of liquid $^4$He are studied using a correlated basis function of the form $\prod_{i<j} \psi(r_{ij})$. Here, $\psi(r)$ is chosen as the exact solution of the Schr\"{o}dinger equation for two $^4$He atoms.…
The rational function approximation method, density functional theory, and NVT Monte Carlo simulation are used to obtain the density profiles of multicomponent hard-sphere mixtures near a planar hard wall. Binary mixtures with a size ratio…
In a recent publication[PRE 86, 04012 (2012)], Santos has presented a self-consistency condition that can be used to limit the possible forms of Fundamental Measure Theory. Here, the direct correlation function resulting from the Santos…
We use the Percus-Yevick approach in the chemical-potential route to evaluate the equation of state of hard hyperspheres in five dimensions. The evaluation requires the derivation of an analytical expression for the contact value of the…
The use of charge balance functions in heavy-ion collision studies was initially proposed as a probe of delayed hadronization and two-stage quark production in these collisions. It later emerged that general balance functions can also serve…
We develop a free energy functional for an inhomogeneous system that contains both symmetry conserved and symmetry broken parts of the direct pair correlation function. These correlation functions are found by solving the Ornstein- Zernike…
The structural properties of liquid GeSe$_2$ are studied by using first-principles molecular dynamics in conjuncton with the Becke, Lee, Yang and Parr (BLYP) generalized gradient approximation for the exchange and correlation energy. The…
We consider the task of generating discrete-time realisations of a nonlinear multivariate diffusion process satisfying an It\^o stochastic differential equation conditional on an observation taken at a fixed future time-point. Such…
We present a detailed derivation of a microscopic theory for the glass transition of a liquid enclosed between two parallel walls relying on a mode-coupling approximation. This geometry lacks translational invariance perpendicular to the…
We have studied the structure and thermodynamic properties of isotropic three-dimensional core-softened fluid by using the second-order Ornstein-Zernike integral equations completed by the hypernetted chain and Percus-Yevick closures. The…
Analytical expressions for radial distribution function (RDF) are of critical importance for various applications, such as development of the perturbation theories for equilibrium properties. Theoretically, RDF expressions for…
A pair of Direct Numerical Simulations is used to investigate curvature and pressure effects. One has a Gaussian test bump and a straight opposite wall, while the other has a straight test wall and a blowing/suction distribution on an…
In this paper we revisit the one-dimensional tunnelling problem. We consider different approximations for the transmission through the Coulomb barrier in heavy ion collisions at near-barrier energies. First, we discuss approximations of the…
In the paper we propose an universal bridge functional for the closure of the Ornstein-Zernike (OZ) equation for the case of infinitely diluted solutions of Lennard-Jones shperes of different size in the Lennard-Jones fluid. Bridge…
A simple model is proposed for the direct correlation function (DCF) for simple fluids consisting of a hard-core contribution, a simple parametrized core correction, and a mean-field tail. The model requires as input only the free energy of…
We represent the free energy functional by a diagrammatic series with tensorial coefficients indexed by powers of length scale. For hard cores, we obtain Percus' exact functional in one dimension and the Kierlik-Rosinberg form of…
We present the first theoretical approach to the angular-average of the two-body correlation function $\tilde g(r)$ for simple solids. It is based on three sum rules for $\tilde g(r)$: the compressibility and virial equations and the…
We combine the method of exchangeable pairs with Stein's method for functional approximation. As a result, we give a general linearity condition under which an abstract Gaussian approximation theorem for stochastic processes holds. We apply…
The binary additive hard-sphere mixtures have been studied by the Ornstein-Zernike integral equation coupled with the Martynov-Sarkisov (MS) closure approximation. Virial equation of state is computed in the MS approximation. The excess…