TRIPLET CORRELATION-FUNCTIONS IN LIQUID-METALS

The triplet correlation function, g(3)(r, r'), was calculated for two liquid metals. rubidium and germanium, both near their respective melt ing points (373 K and 1250 K). The results have been obtained (i) from a molecular dynamics study and (ii) using a numerical technique, whic h is based on a formal density expansion of the triplet correlation fu nction. Results of both methods are found to be in good agreement. In a closer analysis of g(3)(r, r') in terms of angle distributions, it w as found that in the case of germanium a tetragonal coordination is pr eferred for triangle configurations with sides near to nearest neighbo ur distance, whereas for rubidium rather close-packed structures are e ncountered.