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Sensitivity of coupled cluster electronic properties on the reference determinant: Can Kohn-Sham orbitals be more beneficial than Hartree-Fock orbitals?
Zsolt Benedek
Paula Timár
Tibor Szilvási
Gergely Barcza
Published in:
J. Comput. Chem. (2022)
Keyphrases
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clustering algorithm
hartree fock
artificial neural networks
sensitivity analysis
data clustering
database
real time
data sets
data mining
computer vision
structural properties
arbitrary shape
clustering procedure