Correlation of Molecular Motions from the Point of View of the Cell Model

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Abstract
The variational treatment of the single occupancy cell model is extended in order to also include binary correlations of molecular motions within a limited correlation distance. The probability density function of the whole system is written as a product of self‐consistent one‐particle probability functions and binary correlation terms. Correlation proves to be decisive at low densities and still important at high densities. At high densities, difficulties arise because the one‐particle probability function cannot sufficiently account for ternary correlations and does not exclude certain impossible configurations. The results are discussed in comparison to Monte Carlo calculations, to the uncorrelated cell model, and to a cell model where only binary correlation and no independent molecular motion is taken into account.

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