Supplementary Material (clean, not marked-up)

Name: Supplementary Material (clean, not marked-up)
Published: 2024-07-22T04:08:38+00:00
License: https://creativecommons.org/licenses/by-nc/4.0/
Keywords: spin dynamics

dataset

posted on 2024-07-22, 04:08 authored by Menglin Xie, Shangjie Ma, Weiqi Li, Jie Song, Yongyuan Jiang, Yuhang Jing, Chun Li, Georgios Lefkidis, Wolfgang Hübner, Wei Jin

The detailed information of the geometries, the effects of basis set, HF geometry, and SACCI truncation, and the information of initial and ﬁnal states for the achieved spin-transfer and spin-crossover scenarios.