Keyphrases
Density Functional Calculations
100%
Generalized Gradient Approximation
100%
Chemical Accuracy
100%
Energy Correction
100%
Density Functional Theory
66%
Exchange-correlation Functionals
66%
Local Density Approximation
66%
Correction Value
66%
Oxides
33%
Chloride
33%
Material Properties
33%
Confidence Interval
33%
Molecular Species
33%
Formation Energy
33%
Experimental Values
33%
Hydrides
33%
Leave-one-out
33%
Cross-validation Method
33%
Realistic Goals
33%
Nitride-fluoride
33%
Outlier Removal
33%
Chemistry
Generalized Gradient Approximation
100%
Density Functional Theory
66%
Local-Density Approximation
66%
Energetics
33%
formation
33%
Nitride
33%
Material Science
Density
100%
Nitride Compound
20%
Hydride
20%
Materials Property
20%
Oxide Compound
20%