Calculation of a corrected pair distribution function
About: This article is published in Journal of Chemical Physics. The article was published on 15 Feb 1974. and is currently open access. The article focuses on the topics: Scaled inverse chi-squared distribution & Half-normal distribution.
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Citations
Integral-equation perturbation theory for the radial distribution function of simple fluids
TL;DR: In this paper, the radial distribution function (RDF) for a fluid whose molecules interact according to the Lennard-Jones potential is calculated by means of statistical-mechanical perturbation theory using the Percus-Yevick (PY) and hyper-netted-chain (HNC) theories to approximate the perturbations corrections.
30
Non-spherical bridge function theory of molecular fluids
TL;DR: In this article, a new theory based on the Ornstein-Zernike integral equation and applicable to any hard-body molecular fluid is proposed and tested on the homonuclear hard-dumbell system over a wide range of elongations and densities.
27
Evaluation of the SSC/LHNC, SSCF and PY approximations for short ranged, anisotropic potentials
TL;DR: In this paper, the orientational correlation function of molecular fluids was evaluated in the dense liquid state for a fluid interacting with short-range anisotropic interactions, and the results showed that SSC/LHNC is very poor, failing to predict many of the structural features present in the Monte Carlo (MC) simulation results.
19
Perturbation solution of the Percus-Yevick equation for the square-mound potential
A. Fuliński,C. Jȩdrzejek +1 more
TL;DR: In this article, the perturbation solution of the Percus-Yevick equation, based on the known solution for hard-sphere interactions, is found for the square-mound potential.
3
References
Computer "Experiments" on Classical Fluids. II. Equilibrium Correlation Functions
TL;DR: In this paper, equilibrium correlation functions for a dense classical fluid are obtained by integrating the equation of motion of a system of 864 particles interacting through a Lennard-Jones potential, and the behaviour of the correlation function at large distance and that of its Fourier transform at large wave number are discussed in detail and shown to be related to the existence of a strong repulsion in the potential.
1.2K
Perturbation Correction for the Free Energy and Structure of Simple Fluids
TL;DR: This paper derived an expression for a correction of the classical Helmholtz free energy that is the analog of a result familiar from the development of the hypernetted-chain integral equation.
Ion-ion oscillatory potentials in liquid metals
TL;DR: In this article, it was shown that pair potentials between the ions in liquid metals can be obtained from the data, and that the general features of these curves are similar on the basis of various approximate theories of liquids.
183
Perturbation correction to the radial distribution function.
TL;DR: In this paper, the radial distribution function change due to small long-range interaction imposition on short-range potential is discussed, where the authors consider a small long range interaction imposition imposed on short range potential.
Perturbation correction for the free energy and structure of simple fluid mixtures
TL;DR: In this paper, an expression for the difference in free energy between a perturbed mixture with potentials φα β = φ α β(0) + φ β(1) and a reference mixture having potentials ε β(β) = εβ β(α) + ε α(ββ) was derived, which is rendered computable by an HNC type approximation.