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"

Lee, Joonho; Malone, Fionn D; Morales, Miguel A

simulation QMC QMCPACK

Organizations

MDF Open

Year

2020

Source Name

lee_malone_morales_symmetry

License

CC-BY 4.0

Contacts

malone14@llnl.gov

DOI

10.18126/6vto-9dd0 View on Datacite

Get the Data

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.