Gaussian overlap model

The Gaussian overlap model was developed by Bruce J. Berne and Philip Pechukas and is given by (Ref. 1 Eq. 3)

$\Phi _{12}(\mathbf {u} _{1},\mathbf {u} _{2},\mathbf {r} )=\epsilon (\mathbf {u} _{1},\mathbf {u} _{2})\exp \left[{\frac {-r^{2}}{\sigma ^{2}(\mathbf {u} _{1},\mathbf {u} _{2},{\hat {\mathbf {r} }})}}\right]$

where $\Phi _{12}(r)$ is the intermolecular pair potential, $\epsilon (\mathbf {u} _{1},\mathbf {u} _{2})$ and $\sigma (\mathbf {u} _{1},\mathbf {u} _{2},{\hat {\mathbf {r} }})$ are angle dependent strength and range parameters, and ${\hat {\mathbf {r} }}$ is a unit vector.

Equation of state

Main article: Equations of state for the Gaussian overlap model

Virial coefficients

Main article: Gaussian overlap model: virial coefficients

References

1. Bruce J. Berne and Philip Pechukas "Gaussian Model Potentials for Molecular Interactions" Journal of Chemical Physics 56 pp. 4213-4216 (1972)
2. P. A. Monson and K. E. Gubbins "Equilibrium properties of the Gaussian overlap fluid. Monte Carlo simulation and thermodynamic perturbation theory" Journal of Physical Chemistry 87 pp. 2852 - 2858 (1983)
3. Tomas Boublik "The gaussian overlap model again", Molecular Physics 67 pp. 1327-1336 (1989)