THE WATER-WATER PAIR POTENTIAL NEAR THE HYDROGEN-BONDED EQUILIBRIUM CONFIGURATION

An analysis is presented of the contributions to the potential energy of interaction between water molecules near the hydrogen bonded equilibrium configuration. From this analysis we synthesize an effective potential that includes the influences of long-ranged and nonadditive interactions. The influence of the hydrogen bond bending on the anharmonic properties of ice I and on the spectral properties of amorphous solid water, the denser ice polymorphs, and liquid water are used to test the consistency of the effective potential. We also use that potential to estimate the quasistatic distribution of hydrogen bond angles in liquid water, which distribution is an important characteristic of the random network model of water. © 1980 American Institute of Physics.