A recent comparison of computer simulation data for the triplet structure of hard spheres has revealed that an approach proposed by Attard (the so-called PY3 approximation or ``source particle method'') has to be considered at present as the most reliable method available for the determination of the triplet distribution function g(3) of a simple liquid. This holds not only for general three particle arrangements but in particular for those configurations where at least two particles are in direct contact, i.e., where usually the largest discrepancies between different theories are observed. In an effort to study the influence of the interatomic potential on the applicability of the method, we have determined the triplet structure of two classes of simple liquids, namely, soft spheres and liquid metals: we thus varied softness and range of the repulsive potential and the long-ranged attractive potential. In general, agreement with computer experiment is found to be excellent; only for very soft potentials are small discrepancies encountered.
展开▼