On assessing the accuracy of defect free energy computations

Author: Dobson Matthew   Duong Manh Hong   Ortner Christoph  

Publisher: Edp Sciences

E-ISSN: 1290-3841|52|4|1315-1352

ISSN: 0764-583x

Source: ESAIM: Mathematical Modelling and Numerical Analysis, Vol.52, Iss.4, 2018-09, pp. : 1315-1352

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Abstract