Periodic boundary versus quantum cluster approaches in the simulation of a nanoenergetic metallic model-system: Ni/Al(111) surface reactions

M. Petrantoni , Anne Hémeryck , J. -M. Ducere , A. Esteve , C. Rossi , M. Djafari Rouhani , Daniel Esteve , Georges Landa (1)

1 LAAS - Laboratoire d'analyse et d'architecture des systèmes

no abstract

Domaines: Matière Condensée [cond-mat]

M. Petrantoni, Anne Hémeryck, J. -M. Ducere, A. Esteve, C. Rossi, et al.. Periodic boundary versus quantum cluster approaches in the simulation of a nanoenergetic metallic model-system: Ni/Al(111) surface reactions. Journal of Physics and Chemistry of Solids, 2010, 71 (2), pp.130-133. ⟨10.1016/j.jpcs.2009.08.010⟩. ⟨hal-01481812⟩