Detail

QMC Data sets for Benchmarks and Reliable DFT Results for Spin Gaps of Small Ligand Fe(II) Complexes

Song, Suhwan; Kim, Min-Cheol; Sim, Eunji; Benali, Anouar; Heinonen, Olle; Burke, Kieron

QMCPACK simulation QMC DFT

Organizations

CPSFM

Year

2018

Source Name

pub_23_song_qmc

Contacts

Anouar Benali (benali@anl.gov ) Kieron Burke (kieron@uci.edu)

DOI

10.18126/M20923 View on Datacite

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