Implementation of the hierarchical reference theory for simple one-component fluids.
Combining renormalization group theoretical ideas with the integral equation approach to fluid structure and thermodynamics, the hierarchical reference theory is known to be successful even in the vicinity of the critical point and for subcritical temperatures. We present here a software package independent of earlier programs for the application of this theory to simple fluids composed of particles interacting via spherically symmetrical pair potentials, restricting ourselves to hard-sphere reference systems. Using the hard-core Yukawa potential with z=1.8/sigma for illustration, we discuss our implementation and the results it yields, paying special attention to the core condition and emphasizing the decoupling assumption's role.
Reiner
Albert
A
Institut für Theoretische Physik and CMS, Technische Universität Wien, Wiedner Hauptstrasse 8-10, A-1040 Vienna, Austria. areiner@tph.tuwien.ac.at
Kahl
Gerhard
G