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Original Articles

Rotation-Vibration Coupling in Liquid Water Investigated by Molecular Dynamics Simulation

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Pages 55-62 | Received 01 Mar 1999, Accepted 01 Apr 1999, Published online: 23 Sep 2006
 

Abstract

The standard rotation-vibration decoupling approximation for liquid water is tested using a method based on the split of the molecular dipole fluctuation correlation function into pure rotational, pure vibrational and crossed terms. Our results corroborate the total decoupling between vibrational and rotational motions in liquid water at ambient conditions and provide a tool able to test the reliability of this approximation for molecular liquids at different states.

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