Abstract
A new flexible atomic and polarizable potential for water simulation is validated and applied to the study of small clusters of water molecules: (H2O) n , n = 4, 6 and 8. The low-energy equilibrium structures obtained are in good agreement with ab initio calculations. Vibrational frequencies are calculated by normal-mode analysis and are in semiquantitative agreement with ab initio data. Binding energies and dipole moments are also satisfactorily reproduced, despite the limited number of parameters of the potential.
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