TITLE

Role of effective atomic masses in memory function-based models for liquids: A simulation study of liquid water

AUTHOR(S)
Calandrini, Vania; Sutmann, Godehard; Deriu, Antonio; Kneller, Gerald R.
PUB. DATE
December 2006
SOURCE
Journal of Chemical Physics;12/21/2006, Vol. 125 Issue 23, p236102
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
In a simulation study of liquid water, the authors show that the single molecule dynamics up to 40 THz is well described by a rigid-body model for the second order memory function of the intermediate self-scattering function.
ACCESSION #
23556196

 

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