Abstract
In this work we demonstrate the possibility of including constraints in hard systems, using the simple case of a dimer of hard spheres, where the analytical solution exists. We make a detailed description of the model and show that the system's dynamics can be solved in a rigorous way. We also illustrate our theoretical results with some numerical calculations on a simple diatomic liquid.
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Ciccotti, G., Kalibaeva, G. Simulation of a Diatomic Liquid Using Hard Spheres Model. Journal of Statistical Physics 115, 701–714 (2004). https://doi.org/10.1023/B:JOSS.0000019823.05483.ae
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DOI: https://doi.org/10.1023/B:JOSS.0000019823.05483.ae