Exp-6 potential

The exp-6 potential is given by (Eq. 1 in ^[1]):

Φ_{12} (r) = \frac{ϵ}{1 - 6 / α} [(\frac{6}{α}) \exp [α (1 - \frac{r}{σ})] - {(\frac{σ}{r})}^{6}]

where

$r : = | r_{1} - r_{2} |$
$Φ_{12} (r)$ is the intermolecular pair potential between two particles or sites
$σ$ is the value of $r$ at which $Φ_{12} (r) = 0$
$ϵ$ is the well depth (energy)
$α$ is the "steepness" of the repulsive energy

Melting point

An approximate method to locate the melting point is given in ^[2]. See also ^[3].

Related reading