Benchmarking Density Functional Theory Functionals for Polarons in Oxides: Properties of CeO2
Author(s) -
C. W. M. Castleton,
Amy Lee,
Jolla Kullgren
Publication year - 2019
Publication title -
the journal of physical chemistry c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/acs.jpcc.8b09134
Subject(s) - polaron , density functional theory , benchmarking , materials science , condensed matter physics , computational chemistry , physics , chemistry , quantum mechanics , business , electron , marketing
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