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Describing ground and excited state potential energy surfaces for molecular photoswitches using coupled cluster models.
Anders Hutcheson
Alexander Christian Paul
Rolf Heilemann Myhre
Henrik Koch
Ida-Marie Høyvik
Published in:
J. Comput. Chem. (2021)
Keyphrases
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three dimensional
complex systems
data points
statistical models
hierarchical clustering
energy minimization
surface reconstruction
finite state machines
prior knowledge
probabilistic model
model selection
data clustering