Analytic solution of the Ornstein-Zernike relation for inhomogeneous liquids

Analytic solution of the Ornstein-Zernike relation for inhomogeneous liquids.

The properties of a classical simple liquid are strongly affected by the application of an external potential that supports inhomogeneity. To understand the nature of these property changes, the equilibrium particle distribution functions of the liquid have, typically, been calculated directly using either integral equation or density functional based analyses. In this study, we develop a diffe...

Nonequilibrium Ornstein-Zernike relation for Brownian many-body dynamics.

We derive a dynamic Ornstein-Zernike equation for classical fluids undergoing overdamped Brownian motion and driven out of equilibrium. Inhomogeneous two-time correlation functions are obtained from functional differentiation of the one-body density and current with respect to an appropriately chosen external field. Functional calculus leads naturally to non-Markovian equations of motion for th...

Self-consistent Ornstein-Zernike approximation for the Sogami-Ise fluid.

We generalize the self-consistent Ornstein-Zernike approximation (SCOZA) to a fluid of particles with a pair potential consisting of a hard-core repulsion and a linear combination of Sogami-Ise tails, w(r)=-epsilonsigma summation operator (nu)(K(nu)/r+L(nu)z(nu))e(-z(nu)(r-sigma)). The formulation and implementation of the SCOZA takes advantage of the availability of semianalytic results for su...

Multilevel wavelet solver for the Ornstein-Zernike equation

A multilevel wavelet algorithm is developed to solve integral equations for the pair correlations in simple liquids. The algorithm is based on the discrete wavelet transform of the radial correlation functions. The fundamental properties of wavelet bases are employed to improve the convergence and speed of the algorithm. The Coifman 2 basis set is used for the wavelet treatment. To solve the Or...

Ornstein-zernike Theory for the Finite Range Ising