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Efficient band gap prediction for solids
M. K.Y. Chan
, G. Ceder
MRC - Materials Research Center
Research output
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Article
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peer-review
431
Scopus citations
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Keyphrases
Density Functional Calculations
100%
Computational Cost
100%
Local Density
100%
Band Gap
100%
Density Functional Theory
100%
Density Gradient
100%
Semilocal
100%
Generalized Gradient Approximation
100%
Total Energy
100%
Screening Properties
100%
Infinite Solid
100%
Energy Difference
100%
Exchange-correlation Functionals
100%
Self-consistent Field Methods
100%
Fundamental Band
100%
Kohn-Sham
100%
Mean Absolute Error
100%
Dielectric Screening
100%
Experimental Gaps
100%
Band Gap Prediction
100%
Engineering
Energy Difference
100%
Generalized Gradient Approximation
100%
Infinite Solid
100%
Fundamental Band Gap
100%
Dielectrics
100%
Field Method
100%
Computational Cost
100%
Functionals
100%
Mean Absolute Error
100%
Band Gap
100%
Mathematics
Density Functional
100%
Computational Cost
50%
Local Density
50%
Absolute Error
50%
Generalized Gradient
50%
Functionals
50%
Energy Difference
50%
Material Science
Density
100%
Dielectric Material
33%