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arXiv · 1212.1499

On the optimal calculation of the pair correlation function for an orthorombic system

Kai A. F. Röhrig·Thomas D. Kühne
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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.

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Kai A. F. Röhrig, Thomas D. Kühne. 2012-12-06. On the optimal calculation of the pair correlation function for an orthorombic system. https://doi.org/10.1103/physreve.87.045301

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