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Dataset for "Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C36 Fullerene and an Iron Porphyrin Model Complex"
https://doi.org/10.18126/6vto-9dd0
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Dataset for "Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C36 Fullerene and an Iron Porphyrin Model Complex". Included raw AFQMC output files, input files and wavefunctions.
Joonho Lee
Fionn D Malone
Miguel A Morales
malone14@llnl.gov
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DOI registered
April 16, 2020
via DataCite
Dataset published 2020 in
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