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

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. ©2006 American Institute of Physics
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Submitted on : Thursday, August 9, 2007 - 12:08:25 PM
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Vania Calandrini, Godehard Sutmann, Antonio Deriu, Gerald R. Kneller. Role of effective atomic masses in memory function-based models for liquids: A simulation study of liquid water. Journal of Chemical Physics, American Institute of Physics, 2006, 125 (23), 236102 (2006) (2 p.). ⟨10.1063/1.2403877⟩. ⟨hal-00166737⟩

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