RT info:eu-repo/semantics/article
T1 Orbital free ab initio molecular dynamics study of liquid Al near melting
A1 González Fernández, David José
A1 González Tesedo, Luis Enrique
A1 López Rodríguez, José Manuel
A1 Stott, Malcolm J.
K1 Dinámica molecular
K1 Líquidos
AB The orbital free ab initio molecular dynamics method is applied to study the static and dynamicstructure of liquid Al near the triple point. The method uses a new kinetic energy functional, alongwith a local pseudopotential constructed within the same kinetic energy functional. The resultsobtained for the dynamic structure factor are compared with recent experimental data.
PB American Institute of Physics
YR 2001
FD 2001
LK http://uvadoc.uva.es/handle/10324/2527
UL http://uvadoc.uva.es/handle/10324/2527
LA eng
NO Journal of Chemical Physics, v. 115, n. 6 (2001), p. 2373-2376
NO Producción Científica
DS UVaDOC
RD 23-abr-2024