Editing Gaussian overlap model
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The '''Gaussian overlap model''' was developed by Bruce J. Berne and Philip Pechukas <ref>[http://dx.doi.org/10.1063/1.1677837 Bruce J. Berne and Philip Pechukas "Gaussian Model Potentials for Molecular Interactions" Journal of Chemical Physics '''56''' pp. 4213-4216 (1972)]</ref> and is given by Eq. 3 in the aforementioned reference: | The '''Gaussian overlap model''' was developed by Bruce J. Berne and Philip Pechukas <ref>[http://dx.doi.org/10.1063/1.1677837 Bruce J. Berne and Philip Pechukas "Gaussian Model Potentials for Molecular Interactions" Journal of Chemical Physics '''56''' pp. 4213-4216 (1972)]</ref>and is given by Eq. 3 in the aforementioned reference: | ||
:<math>\Phi_{12}(\mathbf{u}_1,\mathbf{u}_2,\mathbf{r}) = \epsilon(\mathbf{u}_1,\mathbf{u}_2) \exp \left[ \frac{-r}{\sigma (\mathbf{u}_1,\mathbf{u}_2, \hat{\mathbf{r}}) } \right] | :<math>\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]</math> | ||
where | where <math>\Phi_{12}(r)</math> is the [[intermolecular pair potential]], <math> \epsilon(\mathbf{u}_1,\mathbf{u}_2) </math> and <math>\sigma (\mathbf{u}_1,\mathbf{u}_2, \hat{\mathbf{r}})</math> are angle dependent strength and range parameters, and <math>\hat{\mathbf{r}}</math> is a unit vector. Not long after the introduction of the Gaussian overlap model Stillinger <ref>[http://dx.doi.org/10.1063/1.432891 Frank H. Stillinger "Phase transitions in the Gaussian core system", Journal of Chemical Physics '''65''' pp. 3968-3974 (1976)]</ref> proposed a stripped-down version of the model, known as the '''Gaussian core model'''. | ||
==Equation of state== | ==Equation of state== | ||
:''Main article: [[Equations of state for the Gaussian overlap model]]'' | |||
==Virial coefficients== | ==Virial coefficients== | ||
:''Main article: [[Gaussian overlap model: virial coefficients]]'' | |||
==Phase diagram== | ==Phase diagram== | ||
The phase diagram of the Gaussian-core model has been calculated by Prestipino | The phase diagram of the Gaussian-core model has been calculated by Prestipino, Saija and Giaquinta <ref>[http://dx.doi.org/10.1103/PhysRevE.71.050102 Santi Prestipino, Franz Saija, and Paolo V. Giaquinta "Phase diagram of the Gaussian-core model", Physical Review E '''71''' 050102 (2005)]</ref>. | ||
==References== | ==References== | ||
<references/> | <references/> | ||
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*[http://dx.doi.org/10.1021/j100238a030 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)] | *[http://dx.doi.org/10.1021/j100238a030 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)] | ||
*[http://dx.doi.org/10.1080/00268978900101841 Tomas Boublik "The gaussian overlap model again", Molecular Physics '''67''' pp. 1327-1336 (1989)] | *[http://dx.doi.org/10.1080/00268978900101841 Tomas Boublik "The gaussian overlap model again", Molecular Physics '''67''' pp. 1327-1336 (1989)] | ||
[[Category: Models | [[Category: Models]] | ||