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

V. Calandrini, G. Sutmann, A. Deriu, G.R. Kneller

Journal of Chemical Physics, 125, 236102, (2006)

DOI: 10.1063/1.2403877

Download: BibTEX

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.

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{"type":"article", "name":"v.calandrini20061", "author":"V. Calandrini and G. Sutmann and A. Deriu and G.R. Kneller", "title":"Role of effective atomic masses in memory functionbased models for liquids: a simulation study of liquid water ", "journal":"Journal of Chemical Physics", "volume":"125", "OPTnumber":"23", "OPTmonth":"1", "year":"2006", "OPTpages":"236102", "OPTnote":"", "OPTkey":"water; liquid theory; molecular dynamics method", "DOI":"10.1063/1.2403877"}
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