Soft-core square well model

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The soft-core square well model is given by

\Phi_{12}\left( r \right) = 
\left\{ \begin{array}{lcc}
4 \epsilon \left[ \left(\frac{\sigma}{r} \right)^{n}-  \left( \frac{\sigma}{r}\right)^{n/2} \right]  & ; & r \leq r_m \\
- \epsilon & ; &r_m < r \leq \lambda \sigma \\
0         & ; & r >\lambda \sigma \end{array} \right.

where \Phi_{12}(r) is the intermolecular pair potential, r_m = 2^{2/n}\sigma, \epsilon is the well depth, r is the distance between site 1 and site 2, i.e. r := |\mathbf{r}_1 - \mathbf{r}_2|, σ is the hard diameter and λ > 1.


  1. Mohammad Shokouhi and Gholam Abbas Parsafar "The effect of steepness of soft-core square-well potential model on some fluid properties", Molecular Physics 106 pp. 103-112 (2008)