Main-group test set for materials science and engineering with user-friendly graphical tools for error analysis: systematic benchmark of the numerical and intrinsic errors in state-of-the-art electronic-structure approximations

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Authors: Igor Ying Zhang, Andrew J Logsdail, Xinguo Ren, Sergey V Levchenko, Luca Ghiringhelli, Matthias Scheffler

Journal title: New Journal of Physics

Journal number: 21/1

Journal publisher: Institute of Physics Publishing

Published year: 2019

Published pages: 013025

DOI identifier: 10.1088/1367-2630/aaf751

ISSN: 1367-2630