The decay of pair correlation functions in ionic fluids: a dressed ion theory analysis of Monte Carlo simulations

J Ulander, R Kjellander - The Journal of Chemical Physics, 2001 - pubs.aip.org
We analyze the decay of structural correlation functions for 1: 1, 1: 2, and 2: 2 electrolyte
solutions obtained from Monte Carlo simulations. It is found that by the use of dressed ion
theory and a simple Picard iteration scheme one can extract the leading decay parameters
with high accuracy, even from simulations with a rather limited number of ions in the
simulation cell. The extraction scheme consists of replacing in a self-consistent manner the
tails of the simulated pair distribution functions by analytical expressions evaluated by …
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