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 , statistical physics , systematic error , ground state , range (aeronautics) , dispersion (optics) , computer science , physics , energy (signal processing) , scale (ratio) , quantum mechanics , materials science , mathematics , molecule , statistics , composite material