Resolution of the Band Gap Prediction Problem for Materials Design
Author:
Affiliation:
1. Materials and Process Simulation Center, MC139-74, California Institute of Technology, Pasadena, California 91125, United States
Funder
U.S. Department of Energy
Division of Materials Research
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
http://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.5b02870
Reference38 articles.
1. Generalized Gradient Approximation Made Simple
2. Self-interaction correction to density-functional approximations for many-electron systems
3. Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities
4. Density-Functional Theory of the Energy Gap
5. Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction
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