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Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Stress tensor.
Martin Becker
Marek Sierka
Published in:
J. Comput. Chem. (2019)
Keyphrases
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high precision
cost function
high accuracy
clustering method
high order
pairwise
objective function
preprocessing
dynamic programming
complex systems
fitting method
data sets
segmentation method
detection method
parameter estimation
k means
computational complexity
genetic algorithm