DFT prediction of band gap in organic-inorganic metal halide perovskites: An exchange-correlation functional benchmark study

Published 2018 View Full Article

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Title
DFT prediction of band gap in organic-inorganic metal halide perovskites: An exchange-correlation functional benchmark study
Authors
Keywords
DFT methods, Perovskites, Band gap, Exchange-correlation functionals, m-GGA
Journal
CHEMICAL PHYSICS
Volume 516, Issue -, Pages 225-231
Publisher
Elsevier BV
Online
2018-09-19
DOI
10.1016/j.chemphys.2018.09.023

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