Band Gap of 3D Metal Oxides and Quasi-2D Materials from Hybrid Density Functional Theory: Are Dielectric-Dependent Functionals Superior?

标题
Band Gap of 3D Metal Oxides and Quasi-2D Materials from Hybrid Density Functional Theory: Are Dielectric-Dependent Functionals Superior?
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 15, Issue 11, Pages 6294-6312
出版商
American Chemical Society (ACS)
发表日期
2019-10-16
DOI
10.1021/acs.jctc.9b00545

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