@@ -194,8 +195,12 @@ where the same damping functions as for the Tosi-Fumi potential are used.
...
@@ -194,8 +195,12 @@ where the same damping functions as for the Tosi-Fumi potential are used.
The parameters of this potential are $`\eta_{ij}`$, $`B_{ij}`$, $`n`$, $`\eta'_{ij}`$, $`B'_{ij}`$, $`C_{ij}`$, $`D_{ij}`$, $`d_{dd}^{ij}`$, $`d_{dq}^{ij}`$ for each pair. Mixing rules are similar to the ones of the Fumi-Tosi potential (but $`n`$ has to be the same for all the pairs).
The parameters of this potential are $`\eta_{ij}`$, $`B_{ij}`$, $`n`$, $`\eta'_{ij}`$, $`B'_{ij}`$, $`C_{ij}`$, $`D_{ij}`$, $`d_{dd}^{ij}`$, $`d_{dq}^{ij}`$ for each pair. Mixing rules are similar to the ones of the Fumi-Tosi potential (but $`n`$ has to be the same for all the pairs).
<aname="daim">
## Dipole Aspherical Ion Model
## Dipole Aspherical Ion Model
</a>
This potential is an extension of the Fumi-Tosi potential to account for the impact of the deformation of the electronic clouds in condensed phases on the repulsion energy [[Madden1996][5]]
This potential is an extension of the Fumi-Tosi potential to account for the impact of the deformation of the electronic clouds in condensed phases on the repulsion energy [[Madden1996][5]]
