~~NOTOC~~
====== Potentials: MgO ======
----

===  Summary table  ===

^ Potential name ^ MgO ^
| Format | [[models:analytic|analytic]] |
| Interaction | [[interactions:dipole]] |
| Elements | Mg, O |
| Reference | [[http://link.aip.org/link/doi/10.1063/1.3668603]] |
| Fitted for | Liquid magnesia |

=====  Details  =====

This potential has been fitted for liquid magnesia structures at temperatures between 
2000 and 5000 K and pressures between zero and 15 GPa. 

This allows for accurate calculations of microstructural, thermodynamic and vibrational properties. 

===  Reference  ===

P. Beck, P. Brommer, J. Roth, and H.-R. Trebin\\
**Ab initio based polarizable force field generation and application to liquid silica and magnesia**\\
J. Chem. Phys **135**, 234512 (2011).\\
[[http://link.aip.org/link/doi/10.1063/1.3668603|Abstract]]

=====  Download  =====

//potfit//: {{:mgo.potfit.pot}}

IMD format: {{:mgo.imd.bz2}}