The radial distribution function is of fundamental importance since it can be used, using the Kirkwood–Buff solution theory, to link the microscopic details to macroscopic properties. Moreover, by the reversion of the Kirkwood-Buff theory, it is possible to attain the microscopic details of the radial distribution function from the macroscopic properties. The radial distribution function may also be inverted to predict the potential energy function using the Ornstein-Zernike equation or structure-optimized potential refinement.