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Analytical gradients for MP2, double hybrid functionals, and TD-DFT with polarizable embedding described by fluctuating charges.
Ivan Carnimeo
Chiara Cappelli
Vincenzo Barone
Published in:
J. Comput. Chem. (2015)
Keyphrases
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higher order
frequency domain
learning algorithm
reinforcement learning
hybrid approaches
robust image watermarking
machine learning
decision making
multiscale
special case
watermarking algorithm
data hiding
graph embedding