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Large-scale surface reconstruction energetics of Pt(100) and Au(100) by all-electron density functional theory
Authors: Havu, Paula; Blum, Volker; Havu, Ville; Rinke, Patrick; Scheffler, Matthias
Date of Publication (YYYY-MM-DD): 2010-10-25
Title of Journal: Physical Review B
Volume: 82
Sequence Number of Article: 161418(R)
Document Type: Article
ID: 502392.0
 
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Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions
Authors: Havu, Ville; Blum, Volker; Havu, Paula; Scheffler, Matthias
Date of Publication (YYYY-MM-DD): 2009-08-21
Title of Journal: Journal of Computational Physics
Volume: 228
Issue / Number: 22
Start Page: 8367
End Page: 8370
Document Type: Article
ID: 434349.0
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
Entries: 1-3  
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