Abstract
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.
| Original language | English |
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| Pages (from-to) | 5531-5541 |
| Number of pages | 11 |
| Journal | The Journal of Chemical Physics |
| Volume | 52 |
| Issue number | 11 |
| DOIs | |
| State | Published - 1970 |