Abstract
We present a simple truncation correction for the configurational temperature which, unlike previous corrections, works even at low truncation values for the shifted and truncated Lennard-Jones potential. The success of the new correction suggests that the expression for the configurational temperature is valid also for interaction potentials with a discontinuous force, given that the discontinuity is properly accounted for.
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CITATION STYLE
Lervik, A., Wilhelmsen, Ø., Trinh, T. T., & Blokhuis, E. M. (2016, February 7). Note: A new truncation correction for the configurational temperature extends its applicability to interaction potentials with a discontinuous force. Journal of Chemical Physics. American Institute of Physics Inc. https://doi.org/10.1063/1.4941453
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