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

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.

preprint2012arXivOpen access
Kai A. F. RöhrigThomas D. Kühne
physics.comp-phphysics.chem-ph
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Citations: 0Reviews: 0Saves: 0Code: not linkedDataset: not linkedInstitutions: 0

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Kai A. F. RöhrigThomas D. Kühne

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