Subject: looking for accurate Au-Au force constant

From: Tianying Yan <[email-masked]>
Date: Sun, 20 Jan 2002 11:43:57 -0500 (EST)

Dear all,

Does anybody know an accurate force constant which can be used to
represent Au{111} surface? or some way to fit the force constant by its
phonon dispersion? Any reference or suggestion is welcome. 
I am doing classical MD simulation, Au{111} is used as substrate which is
not supposed to be involved too much into the dynamical process of whole
system. Therefore, a simple Au-Au force constant should be great helpful.

Regards, Tianying

Tianying Yan
Department of Chemistry
Wayne State University
[email-masked]