Critical assessment of SQE model for the development of polarizable force fields

Konstantin S. Smirnov, CNRS - University Lille 1, Villeneuve d'Ascq, France

The contribution presents results of using the split-charge equilibraion (SQE) model as a background of polarizable force field. The discussed results mainly concern two systems, silica and water, that are widely used as prototypes of semi-ionic solids and of H-bonded molecular liquids, respectively. Strengths and weaknesses of the model in the description of specific characteristics are revealed by systematic comparison with reference <i>ab initio</i> data and with other effective potential models.