New evaluation of reconstructed spatial distribution function from radial distribution functions

Reconstruction of Pair Interaction Potentials from Radial Distribution Functions

Determination of accurate, mean bond lengths from radial distribution functions.

The mean bond length d between a central atom and its nearest neighbors can be estimated from the position of the first peak in the radial distribution function g(r). However, as we demonstrate here, this estimate does not allow one to deduce temperature-induced changes in d. Instead, skewness has to be included into the analysis, which can be achieved, for example, via the skew normal distribu...

Quantum distribution functions for radial observables

The Wigner quasi-probability distribution function is a familiar tool to many working in quantum and atom optics [1]. It is primarily used in the classical-quantum correspondence where the appearance of positive and negative regions of the Wigner function gives easily understood information concerning the probability concentrations and quantum interferences present within the quantum state [2]....

Radial Distribution Function of Liquid Sodium

The radial distribution function of liquid sodium has been studied by considering the integral equation Perturbation Theory of Madden and Fitts for the reference part and the optimised cluster theory for the attractive part of the pair potential. Calculations were carried out for the long range oscillatory potential of Schiff. The calculated results are compared with the molecular dynamics calc...

Radial distribution function of rod-like polyelectrolytes.

We study the effect of electrostatic interactions on the distribution function of the end-to-end distance of a single polyelectrolyte chain in the rod-like limit. The extent to which the radial distribution function of a polyelectrolyte is reproduced by that of a wormlike chain with an adjusted effective persistence length is investigated. Strong evidence is found for a universal scaling formul...