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Physical Chemistry Chemical Physics

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Edge reconstruction in armchair phosphorene nanoribbons revealed by discontinuous Galerkin density functional theory

Wei Hu,*a   Lin Lin*ab and   Chao Yang*a  
Corresponding authors
Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, USA
E-mail: whu@lbl.gov, linlin@math.berkeley.edu, cyang@lbl.gov
Department of Mathematics, University of California, Berkeley, USA
Phys. Chem. Chem. Phys., 2015,17, 31397-31404

DOI: 10.1039/C5CP00333D
Received 19 Jan 2015, Accepted 10 Feb 2015
First published online 11 Feb 2015

This article is part of themed collection: Real-space numerical grid methods in quantum chemistry
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