Ab initio and DFT benchmarks of tungsten nanoclusters and tungsten hydrides

Michal Novotný (1) , Jan Škoviera (1, 2) , Ivan Cernusak (1) , Takuji Oda , Florent Louis (2)

1 Comenius University in Bratislava
2 PC2A - Physicochimie des Processus de Combustion et de l’Atmosphère - UMR 8522

Domaines: Chimie

Michal Novotný, Jan Škoviera, Ivan Cernusak, Takuji Oda, Florent Louis. Ab initio and DFT benchmarks of tungsten nanoclusters and tungsten hydrides. International workshop on Models and Data for Plasma-Material Interaction in Fusion Devices (MoD-PMI), May 2015, Marseille, France. ⟨hal-03359188⟩