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.
@article{arxiv.1210.2183,
title = {Orbital free ab initio molecular dynamics simulation study of some static and dynamic properties of liquid noble metals},
author = {G. M. Bhuiyan and L. E. González and D. J. González},
journal= {arXiv preprint arXiv:1210.2183},
year = {2012}
}