Document Type
Article
Publication Date
5-2003
Abstract
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).
Journal Name
Journal of Chemical Physics
Recommended Citation
Steven W. Rick and A. D. J. Haymet. 2003. " Dielectric constant and proton order and disorder in ice Ih: Monte Carlo computer simulations." Journal of Chemical Physics 118 (20): 9291-9296.