Application of an Approximate Percus-Yevick Equation for Liquid Water

An approximate Percus–Yevick equation for liquid water is suggested. The approximation involves the splitting of the potential of average force for two particles into a sum of a direct, angle‐dependent pair potential and an angle‐independent indirect potential. The angle‐dependent pair potential is chosen in such a way that the characteristic tetrahedral geometry for the relative orientation of two water molecules is favored. Employing this potential function in the integral equation produces a pair correlation function which carries the main features of the experimental pair correlation function for liquid water.

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