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A finite field method for calculating molecular polarizability tensors for arbitrary multipole rank.
Dennis M. Elking
Lalith E. Perera
Robert E. Duke
Thomas A. Darden
Lee G. Pedersen
Published in:
J. Comput. Chem. (2011)
Keyphrases
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objective function
synthetic data
preprocessing
high order
clustering method
experimental evaluation
cost function
computational cost
high accuracy
optimization algorithm
high precision
prior knowledge
model selection
computationally efficient
support vector machine svm
pairwise
computational complexity
multiscale