Ab initio simulations of liquid semiconductors using the pseudopotential-density functional method

The properties of semiconductor liquids were simulated using pseudopotential density functional method (PDFM). The PFDM has dramatically altered the field of molecular dynamics by providing a means of extracting quantum forces. These forces were used in ab initio simulations of the liquid state in contrast to classical simulations which use empirical interatomic forces, quantum forces eliminate any ad hoc assumptions about the interatomic forces.