TTM2.1-F model of water: Difference between revisions
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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== | ==References== | ||
#[http://dx.doi.org/10.1021/jp056477k George S. Fanourgakis and Sotiris S. Xantheas "The Flexible, Polarizable, Thole-Type Interaction Potential for Water (TTM2-F) Revisited", The Journal of Physical Chemistry A '''110''' pp. 4100 -4106 (2006)] | #[http://dx.doi.org/10.1021/jp056477k George S. Fanourgakis and Sotiris S. Xantheas "The Flexible, Polarizable, Thole-Type Interaction Potential for Water (TTM2-F) Revisited", The Journal of Physical Chemistry A '''110''' pp. 4100 -4106 (2006)] | ||
;Related reading | |||
*[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
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This article is a 'stub' about water and/or ice. It has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add material to this article, remove the {{Stub-water}} template from this page. |
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