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Performance of Screened-Exchange Functionals for Band Gaps and Lattice Constants of Crystals.

Authors :
Zhang, Cheng
Verma, Pragya
Wang, Jiaxu
Liu, Yiwei
He, Xiao
Wang, Ying
Truhlar, Donald G.
Liu, Zhonghua
Source :
Journal of Chemical Theory & Computation; 1/10/2023, Vol. 19 Issue 1, p311-323, 13p
Publication Year :
2023

Details

Language :
English
ISSN :
15499618
Volume :
19
Issue :
1
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
161272677
Full Text :
https://doi.org/10.1021/acs.jctc.2c00822