Editing TIP4PQ/2005 model of water

The '''TIP4PQ/2005''' model
<ref>[http://arxiv.org/abs/0906.3967 Carl McBride, Carlos Vega, Eva G. Noya, Rafael Ramirez, Luis M. Sese "Quantum contributions in the ice phases: the path to a new empirical model for water -- TIP4PQ/2005", Journal of Chemical Physics (accepted for publication) (arXiv:0906.3967v1)]</ref>
is a re-parameterisation of the [[TIP4P/2005]] potential for [[Path integral formulation |quantum path integral simulations]] of [[water]], in particular for the [[ice phases]].
TIP4P/2005 is a rigid planar model, having a similar geometry to the [[BF |Bernal and  Fowler model]].
==Parameters==
[[Image:Four_site_water_model.png‎|center|400px]]


{| style="width:65%; height:100px" border="1"
|- 
| <math>r_{\mathrm {OH}}</math> (&Aring;)|| <math>\angle</math>HOH , deg|| <math>\sigma</math> (&Aring;)|| <math>\epsilon/k</math> (K)|| q(O) (e) || q(H) (e) || q(M) (e) || <math>r_{\mathrm {OM}}</math> (&Aring;) 
|- 
| 0.9572 || 104.52 ||  3.1589 || 93.2 || 0 || 0.5764 || -2q(H) || 0.1546
|}

==References==
<references/>


[[Category: Water]]
[[Category: Models]]
{{numeric}}