Preprint
Benchmarking exchange-correlation potentials with the mstar60 dataset: Importance of the nonlocal exchange potential for effective mass calculations in semiconductors
Abstract
The accuracy of effective masses predicted by density functional theory
depends on the exchange-correlation functional employed, with nonlocal hybrid
Authors
Laurien M; Rubel O
Publication date
November 29, 2021
DOI
10.48550/arxiv.2111.14772
Preprint server
arXiv