Implementation of the Hierarchical Reference Theory for simple one-component fluids

Details Implementation of the Hierarchical Reference Theory for simple one-component fluids Implementation of the Hierarchical Reference Theory for simple one-component fluids

2001-12-03

arxiv.org/abs/cond-mat/0112035v2

Phys. Rev. E 65 (2002) 046701

Physics

Condensed Matter

RevTeX, 16 pages, 2 figures. Minor changes, published version

Scientific paper

10.1103/PhysRevE.65.046701

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 sub-critical temperatures. We here present 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.

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