8-6 Lennard-Jones potential

The 8-6 Lennard-Jones potential (also known as the 6-8 potential) is a variant the more well known Lennard-Jones model. It is particularly useful for computing non-bonded interactions. The potential is given by (Eq. 4 in):

${\mathrm{\Phi }}_{12}(r)=ϵ[3{(\frac{\sigma }{r})}^8-4{(\frac{\sigma }{r})}^6]$

where

• $r:=|{\mathbf{r}}_1-{\mathbf{r}}_2|$
• ${\mathrm{\Phi }}_{12}(r)$ is the intermolecular pair potential between two particles or sites
• $\sigma$ is the diameter (length), i.e. the value of $r$ at which ${\mathrm{\Phi }}_{12}(r)=0$
• $ϵ$ is the well depth (energy)

See also

• 9-6 Lennard-Jones potential