Optimal calculation of the pair correlation function for an orthorhombic system

6533b820fe1ef96bd127a503

RESEARCH PRODUCT

Optimal calculation of the pair correlation function for an orthorhombic system

subject

Chemical Physics (physics.chem-ph)Hydrogen Compressed fluid Mathematical analysis FOS: Physical sciences chemistry.chemical_element Geometry Computational Physics (physics.comp-ph)Radial distribution function Shock (mechanics)chemistry Physics - Chemical Physics Pair correlation Orthorhombic crystal system Physics - Computational Physics Mathematics

description

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.

year	journal	country	edition	language
2012-12-06	Physical Review E

https://doi.org/10.1103/physreve.87.045301

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