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Detailed check of the LDA + U and GGA + U corrected method for defect calculations in wurtzite ZnO.
Gui-Yang Huang
Chong-Yu Wang
Jian-Tao Wang
Published in:
Comput. Phys. Commun. (2012)
Keyphrases
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computational cost
optimization algorithm
preprocessing
high accuracy
neural network
feature extraction
objective function
computational complexity
pairwise
dynamic programming
probabilistic model
principal component analysis
detection method
discriminant analysis
hill climbing