On the optimal calculation of the pair correlation function for an orthorombic system
Chemical Physics
2014-06-23 v1 Computational Physics
Abstract
We present a new computational method to calculate arbitrary pair correlation functions of an orthorombic system in the most efficient way. The algorithm is demonstrated by the calculation of the radial distribution function of shock compressed liquid hydrogen.
Keywords
Cite
@article{arxiv.1212.1499,
title = {On the optimal calculation of the pair correlation function for an orthorombic system},
author = {Kai A. F. Röhrig and Thomas D. Kühne},
journal= {arXiv preprint arXiv:1212.1499},
year = {2014}
}