Exp-6 potential

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

$\Phi _{12}(r)={\frac {\epsilon }{1-6/\alpha }}\left[\left({\frac {6}{\alpha }}\right)\exp \left[\alpha {\frac {1-r}{\sigma }}\right]-\left({\frac {\sigma }{r}}\right)^{6}\right]$

where

• $r:=|\mathbf {r} _{1}-\mathbf {r} _{2}|$
• $\Phi _{12}(r)$ is the intermolecular pair potential between two particles or sites
• $\sigma$ is the value of $r$ at which $\Phi _{12}(r)=0$
• $\epsilon$ is the well depth (energy)
• $\alpha$ is the "steepness" of the repulsive energy

See also

• Buckingham potential
• Lennard-Jones model

References

Related reading

• M. Ross and F. H. Ree "Repulsive forces of simple molecules and mixtures at high density and temperature", Journal of Chemical Physics 73 pp. 6146-6152 (1980)