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Original Articles

Mode coupling for non-spherical molecules: A semischematic model applied to simulated water

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Pages 499-505 | Published online: 13 Aug 2009
 

Abstract

We discuss the centre-of-mass dynamics in simulated supercooled water in the framework of mode-coupling theory. We introduce in the mode coupling memory function an effective q-independent coupling g R to take into account the coupling between translational and rotational correlators. This simple modification is able to describe the q dependence of the non-ergodicity factor and the amplitude in the Von Schweidler law.

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