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Dataset for "Quantum Monte Carlo benchmarking of large noncovalent complexes in the L7 benchmark set"
https://doi.org/10.18126/ooou-s47a
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Dataset for the L7 benchmark using DFT (B3LYP) and QMC(DMC). All files are input and output files are in the pyscf code format and QMCPACK format.
Anouar Benali
Hyeondeok Shin
Olle Heinonen
Anouar Benali
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DOI registered
September 4, 2020
via DataCite
Dataset published 2020 in
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