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Article Dans Une Revue Chemical Physics Letters Année : 2005

Ab initio molecular dynamics: Plane waves vs. local basis - The role of energy cutoff on the convergence of molecular properties

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hal-00382889 , version 1 (11-05-2009)

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Christophe Raynaud, Laurent Maron, Franck Jolibois, Jean-Pierre Daudey, Pierre M. Esteves, et al.. Ab initio molecular dynamics: Plane waves vs. local basis - The role of energy cutoff on the convergence of molecular properties. Chemical Physics Letters, 2005, 414, pp.161-165. ⟨10.1016/j.cplett.2005.08.034⟩. ⟨hal-00382889⟩
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