88 citations · 135 across the 5 of their papers we have counts for
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cond-mat.mtrl-sci2020
Long-Range Magnetic Exchange Pathways in Complex Clusters from First-Principles
Dian-Teng Chen, Jia Chen, Xiang-Guo Li +3
This work builds a bridge between density functional theory (DFT) and model interpretations of Anderson's superexchange theory by constructing a -- model with DFT Wannier…
physics.chem-ph2020★ 29 cited
Theoretical Prediction of Magnetic Exchange Coupling Constants from Broken-Symmetry Coupled Cluster Calculations
Henry F. Schurkus, Dian-Teng Chen, Hai-Ping Cheng +2
Exchange coupling constants () are fundamental to the understanding of spin spectra of magnetic systems. Here we investigate the broken-symmetry (BS) approaches of Noodleman and…
physics.chem-ph2020
Exploring the magnetic properties of the largest single molecule magnets
Henry F. Schurkus, Dianteng Chen, Matthew J. O'Rourke +2
The giant and wheels are the largest nuclearity single-molecule magnets synthesized to date and understanding their magnetic prope…