3 citations · 3 across the 2 of their papers we have counts for
5 papers
Using hyper-optimized tensor networks and first-principles electronic structure to simulate experimental properties of the giant {Mn84} torus
Dian-Teng Chen, Phillip Helms, Ashlyn R. Hale +7
The single-molecule magnet {Mn84} is a challenge to theory due to its high nuclearity. Building on our prior work which characterized the structure of the spectrum of this magnet,…
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…
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…
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…
Three Jahn-Teller states of matter in the spin-crossover system Mn(taa)
Jie-Xiang Yu, Dian-Teng Chen, Jie Gu +7
Three high-spin phases recently discovered in the spin-crossover system Mn(taa) are identified through analysis by a combination of first-principles calculations and Monte Carlo si…