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Strategies for an efficient implementation of the Gauss-Bessel quadrature for the evaluation of multicenter integral over STFs.
Stefan Duret
Ahmed Bouferguene
Hassan Safouhi
Published in:
J. Comput. Chem. (2008)
Keyphrases
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implementation issues
neural network
artificial intelligence
multiscale
efficient implementation
optimal strategy
implementation details
databases
clustering algorithm
case study
evaluation criteria
evaluation methods
band limited
pilot testing