Journal of Chemical Physics, Vol.118, No.20, 9291-9296, 2003
Dielectric constant and proton order and disorder in ice Ih: Monte Carlo computer simulations
The dielectric properties of ice Ih are studied using a Monte Carlo algorithm for sampling over proton configurations. The algorithm makes possible the calculation of the dielectric constant and other properties of the proton-disordered crystal. Results are presented for three classical models of water, two commonly used nonpolarizable models (SPC/E and TIP4P) and a polarizable model (TIP4P-FQ). (C) 2003 American Institute of Physics.