Open AccessRationalizing accurate structure prediction in the meta-GGA SCAN functional
Author(s) -
Julia H. Yang,
Daniil A. Kitchaev,
Gerbrand Ceder
Publication year - 2019
Publication title -
physical review. b./physical review. b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.78
H-Index - 465
eISSN - 2469-9969
pISSN - 2469-9950
DOI - 10.1103/physrevb.100.035132
Subject(s) - van der waals force , crystal structure prediction , systematic error , statistical physics , ground state , computer science , range (aeronautics) , dispersion (optics) , energy (signal processing) , algorithm , physics , mathematics , materials science , quantum mechanics , molecule , statistics , composite material
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