8-6 Lennard-Jones potential

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$\Phi_{12}(r) = \epsilon \left[ 3\left(\frac{\sigma}{r} \right)^{8} - 4\left( \frac{\sigma}{r}\right)^6 \right]$
• $r := |\mathbf{r}_1 - \mathbf{r}_2|$
• $\Phi_{12}(r)$ is the intermolecular pair potential between two particles or sites
• $\sigma$ is the diameter (length), i.e. the value of $r$ at which $\Phi_{12}(r)=0$
• $\epsilon$ is the well depth (energy)