Optimal calculation of the pair correlation function for an orthorhombic system

Roehrig KAF, Kuehne TD (2013)

Publication Type: Journal article

Publication year: 2013

Journal

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics American Physical Society (APS)

Book Volume: 87

Article Number: 045301

Journal Issue: 4

DOI: 10.1103/PhysRevE.87.045301

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. © 2013 American Physical Society.

Involved external institutions

Johannes Gutenberg-Universität Mainz (JGU) DE Germany (DE)

How to cite

APA:

Roehrig, K.A.F., & Kuehne, T.D. (2013). Optimal calculation of the pair correlation function for an orthorhombic system. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 87(4). https://dx.doi.org/10.1103/PhysRevE.87.045301

MLA:

Roehrig, Kai A. F., and Thomas D. Kuehne. "Optimal calculation of the pair correlation function for an orthorhombic system." Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 87.4 (2013).

BibTeX: Download