2 papers
physics.chem-ph2020
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…