51 citations · 89 across the 6 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…
cond-mat.mtrl-sci2019
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…
cond-mat.mtrl-sci2015★ 51 cited
Density Functional plus Dynamical Mean-Field Theory of the Spin-Crossover Molecule Fe(phen)(NCS)
Jia Chen, Andrew Millis, Chris Marianetti
We study the spin-crossover molecule Fe(phen)(NCS) using density functional theory (DFT) plus dynamical mean-field theory, which allows access to observables not attainable…