A general purpose model for the condensed phases of water: TIP4P/2005.

  title={A general purpose model for the condensed phases of water: TIP4P/2005.},
  author={J. L. Abascal and C. Vega},
  journal={The Journal of chemical physics},
  volume={123 23},
  • J. L. Abascal, C. Vega
  • Published 2005
  • Chemistry, Medicine
  • The Journal of chemical physics
  • A potential model intended to be a general purpose model for the condensed phases of water is presented. TIP4P/2005 is a rigid four site model which consists of three fixed point charges and one Lennard-Jones center. The parametrization has been based on a fit of the temperature of maximum density (indirectly estimated from the melting point of hexagonal ice), the stability of several ice polymorphs and other commonly used target quantities. The calculated properties include a variety of… CONTINUE READING
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