Laboratoire de Physique et Chimie des Nano-objets
Institut National des Sciences Appliquées
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135 avenue de Rangueil, 31077 TOULOUSE CEDEX 4 - FRANCE
Tél : 00 33 05 61 55 96 45 | Fax : (+33) (0)5 61 55 96 97
Accueil du site > LPCNO > Publications > Articles > 2005 > Ab initio molecular dynamics : Plane waves vs. local basis - The role of energy cutoff on the convergence of molecular properties
C. Raynaud, L. Maron, F. Jolibois, J. P. Daudey, P. Esteves, and A. Ramirez-Solis
Ab initio molecular dynamics : Plane waves vs. local basis - The role of energy cutoff on the convergence of molecular properties
Chem. Phys. Lett. 414, 161–165 (2005)
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