Optimal calculation of the pair correlation function for an orthorhombic system

Phys Rev E Stat Nonlin Soft Matter Phys. 2013 Apr;87(4):045301. doi: 10.1103/PhysRevE.87.045301. Epub 2013 Apr 3.

Abstract

We present a computational method to calculate arbitrary pair correlation functions of an orthorhombic system in the most efficient way. The algorithm is demonstrated by the calculation of the radial distribution function of shock compressed liquid hydrogen.

Publication types

  • Research Support, Non-U.S. Gov't