BRIDGE FUNCTIONS FOR MODELS OF LIQUID-METALS

The bridge function B(r) is extracted from pair-correlation data obtained by means of extensive molecular-dynamics simulations for two model potentials for liquid metals describing respectively aluminum and cesium. Insertion of the computed bridge functions in the reference hypernetted chain equation yields a pair-correlation function which exactly matches molecular-dynamics results. A comparison between these "experimental" bridge functions and the hard-sphere bridge function shows clear differences in the medium- and long-range behavior for the Al model potential and even more marked discrepancies for the softer Cs model potential.