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Efficient calculations of a large number of highly excited states for multiconfigurational wavefunctions.
Mickaël G. Delcey
Lasse Kragh Sørensen
Morgane Vacher
Rafael C. Couto
Marcus Lundberg
Published in:
J. Comput. Chem. (2019)
Keyphrases
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data sets
databases
genetic algorithm
multiscale
small number
maximum number
learning algorithm
artificial intelligence
information systems
image segmentation
computational complexity
computationally expensive