Self-consistent Ornstein–Zernike approximation for the Yukawa fluid with improved direct correlation function

Self-consistent Ornstein-Zernike approximation for the Yukawa fluid with improved direct correlation function.

Thermodynamic consistency of the mean spherical approximation as well as the self-consistent Ornstein-Zernike approximation (SCOZA) with the virial route to thermodynamics is analyzed in terms of renormalized gamma-ordering. For continuum fluids, this suggests the addition of a short-ranged contribution to the usual SCOZA direct correlation function, and the shift of the adjustable parameter fr...

A modified version of a self-consistent Ornstein-Zernike approximation for a fluid with a one-Yukawa pair potential.

We present a modified version of a thermodynamically self-consistent Ornstein-Zernike approximation (SCOZA) for a fluid of spherical particles with a pair potential given by a hard core repulsion and a Yukawa tail [Formula: see text]. We take advantage of the known analytical properties of the solution of the Ornstein-Zernike equation for the case in which the direct correlation function outsid...

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...

The mean spherical approximation for a dipolar Yukawa fluid

Correlation potentials for molecular bond dissociation within the self-consistent random phase approximation.

Self-consistent correlation potentials for H(2) and LiH for various inter-atomic separations are obtained within the random phase approximation (RPA) of density functional theory. The RPA correlation potential shows a peak at the bond midpoint, which is an exact feature of the true correlation potential, but lacks another exact feature: the step important to preserve integer charge on the atomi...