TTM2-F model of water

A flexible ab initio model of water.

See also

• TTM2-R - A rigid version.
• TTM2.1-F - An updated version.

References

1. Christian J. Burnham, Jichen Li, Sotiris S. Xantheas and Maurice Leslie "The parametrization of a Thole-type all-atom polarizable water model from first principles and its application to the study of water clusters (n=2–21) and the phonon spectrum of ice Ih", Journal of Chemical Physics 110 pp. 4566-4581 (1999)
2. C. J. Burnham and S. S. Xantheas "Development of transferable interaction models for water. IV. A flexible, all-atom polarizable potential (TTM2-F) based on geometry dependent charges derived from an ab initio monomer dipole moment surface", Journal of Chemical Physics 116 pp. 5115-5124 (2002)