Orbital free ab initio molecular dynamics simulation study of some static and dynamic properties of liquid noble metals

• Published in: Condensed Matter Physics
• Date: 2012
• Main Authors: Bhuiyan, G.M., Gonz´lez, L.E., Gonz´lez, D.J.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2012
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/120175
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Orbital free ab initio molecular dynamics simulation study of some static and dynamic properties of liquid noble metals / G.M. Bhuiyan, L.E. Gonz´lez, D.J. Gonz´lez // Condensed Matter Physics. — 2012. — Т. 15, № 3. — С. 33604:1-19. — Бібліогр.: 79 назв. — англ.

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 a...