화학공학소재연구정보센터
Journal of Chemical Physics, Vol.115, No.6, 2373-2376, 2001
Orbital free ab initio molecular dynamics study of liquid Al near melting
The orbital free ab initio molecular dynamics method is applied to study the static and dynamic structure of liquid Al near the triple point. The method uses a new kinetic energy functional, along with a local pseudopotential constructed within the same kinetic energy functional. The results obtained for the dynamic structure factor are compared with recent experimental data.