November 2023

Journal

Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C 36 Fullerene and an Iron Porphyrin Model Complex

By:
Lee, Joonho; Malone, Fionn; Morales, Miguel
Journal Name:
Journal of Chemical Theory and Computation
Page Number:
3019-3027
Volume:
16
Issue Number:
5
Publication Date:
November 9, 2023
View DOI Listing:
https://doi.org/10.1021/acs.jctc.0c00055