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Excited states of ortho-nitrobenzaldehyde as a challenging case for single- and multi-reference electronic structure theory.
Dóra Vörös
Sebastian Mai
Published in:
J. Comput. Chem. (2023)
Keyphrases
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graph structure
small size
data sets
database
real time
real world
data structure
multiresolution
probabilistic model
case based reasoning
computational model
belief functions