A three-dimensional simple cubic lattice gas was investigated by using the real-space renormalization group approach with blocks of different size and symmetries. Calculations were made of the absorption isotherms and density dependences of the pair correlation function, isothermal susceptibility, chemical and jump diffusion coefficients for various temperatures. All of these quantities had also been obtained by Monte Carlo simulations. Also obtained were the density dependences for the tracer diffusion coefficient by Monte Carlo simulations. Despite the fact that both methods constitute very different approaches, the correspondence of numerical data and theoretical results was rather good. It was concluded that the real-space renormalization group method could be applied to the three-dimensional lattice gas system discussed here to characterize its thermodynamic and kinetic properties.

Atom Diffusion in a Simple Cubic Lattice: Real-Space Renormalization Group and Monte Carlo Calculations. N.Tarasenko, L.Jastrabik, T.Müller, A.Tarasenko: Physical Review B, 2006, 73[24], 245419