Accurate Band Gaps for Semiconductors from Density Functional Theory
Author:
Affiliation:
1. Materials and Process Simulation Center, MC 139-74, California Institute of Technology, Pasadena, California 91125, United States
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jz101565j
Reference51 articles.
1. Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities
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4. Generalized Kohn-Sham schemes and the band-gap problem
5. On the prediction of band gaps from hybrid functional theory
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