%0 Journal Article
%T Orbital free ab initio molecular dynamics simulation study of some static and dynamic properties of liquid noble metals
%A G.M. Bhuiyan
%A L.E. Gonzalez
%A D.J. Gonzalez
%J Condensed Matter Physics
%D 2012
%I Institute for Condensed Matter Physics
%X Several static and dynamic properties of liquid Cu, Ag and Au at thermodynamic states near their respective melting points, have been evaluated by means of the orbital free ab-initio molecular dynamics simulation method. The calculated static structure shows good agreement with the available X-ray and neutron diffraction data. As for the dynamic properties, the calculated dynamic structure factors point to the existence of collective density excitations along with a positive dispersion for l-Cu and l-Ag. Several transport coefficients have been obtained which show a reasonable agreement with the available experimental data.
%K liquid noble metals
%K orbital free density functional theory
%K molecular dynamics simulations
%K static structure
%K dynamic properties
%K transport coefficients
%U http://dx.doi.org/10.5488/CMP.15.33604