Penetrable square well model

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The penetrable square well model is given by [1] [2]:

\[ \Phi_{12}\left( r \right) = \left\{ \begin{array}{ccc} \epsilon_r & ; & r < \sigma \\ - \epsilon_a & ; &\sigma \le r < \sigma + \Delta\\ 0 & ; & r \ge \sigma + \Delta\end{array} \right. \]

where \(\Phi_{12}(r)\) is the intermolecular pair potential, \(\epsilon_r\) is the hight of the repulsive core and \(\epsilon_a\) is the attractive well depth, \(r\) is the distance between site 1 and site 2 \(r := |\mathbf{r}_1 - \mathbf{r}_2|\).

[edit] References

  1. Andrés Santos, Riccardo Fantoni and Achille Giacometti "Penetrable square-well fluids: Exact results in one dimension", Physical Review E 77 051206 (2008)
  2. Riccardo Fantoni, Achille Giacometti, Alexandr Malijevský, and Andrés Santos "Penetrable-square-well fluids: Analytical study and Monte Carlo simulations", Journal of Chemical Physics 131 124106 (2009)
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