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Ab initio molecular simulations with numeric atom-centered orbitals
Authors: Blum, Volker; Gehrke, Ralf; Hanke, Felix; Havu, Paula; Havu, Ville; Ren, Xingou; Reuter, Karsten; Scheffler, Matthias
Date of Publication (YYYY-MM-DD): 2009-06-24
Title of Journal: Computer Physics Communications
Volume: 180
Start Page: 2175
End Page: 2196
Document Type: Article
ID: 379901.0
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