TTM2.1-F model of water: Difference between revisions
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*[http://dx.doi.org/10.1063/1.2759484 Francesco Paesani, Satoru Iuchi, and Gregory A. Voth "Quantum effects in liquid water from an ab initio-based polarizable force field", Journal of Chemical Physics '''127''' 074506 (2007)] | *[http://dx.doi.org/10.1063/1.2759484 Francesco Paesani, Satoru Iuchi, and Gregory A. Voth "Quantum effects in liquid water from an ab initio-based polarizable force field", Journal of Chemical Physics '''127''' 074506 (2007)] | ||
;Implementation | |||
*[http://www.deleramentum.net/codes/ttm/ A simple implementation (C++) of the TTM2, TTM3 and TTM4 potentials.] | |||
[[category: water]] | [[category: water]] | ||
[[category: models]] | [[category: models]] |
Latest revision as of 18:00, 1 May 2013
The TTM2.1-F is a flexible ab initio model of water. This model is a revision of the flexible, polarizable, Thole-type interaction potential for water, TTM2-F.
References[edit]
- Related reading
- Implementation