TIP5P model of water: Difference between revisions
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Revision as of 15:50, 23 February 2010
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TIP5P is a five-site rigid model [1] of water.
TIP5P(PIMC)
The TIP5P(PIMC) model is a variant of the TIP5P model for path integral simulations [2].
References
- ↑ Michael W. Mahoney and William L. Jorgensen "A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions", Journal of Chemical Physics 112 pp. 8910-8922 (2000)
- ↑ Michael W. Mahoney and William L. Jorgensen "Quantum, intramolecular flexibility, and polarizability effects on the reproduction of the density anomaly of liquid water by simple potential functions", Journal of Chemical Physics 115 pp. 10758-10768 (2001)