ITERATIVE SOLUTION OF THE ORNSTEIN-ZERNIKE EQUATION WITH VARIOUS CLOSURES USING VECTOR EXTRAPOLATION

The solution of the Ornstein-Zemike equation with various closure appr oximations is studied. This problem is rewritten as an integral equati on that can be solved iteratively on a grid. The convergence of the fi xed point iterations is relatively slow. We consider transformations o f the sequence of solution vectors using non-linear sequence transform ations, so-called vector extrapolation processes. An example is the ve ctor J transformation. The transformed vector sequences rum out to con verge considerably faster than the original sequences.