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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-ph2019★ 1 cited
Decoherence in Molecular Electron Spin Qubits: Insights from Quantum Many-Body Simulations
Jia Chen, Cong Hu, John F. Stanton +3
Quantum states are described by wave functions whose phases cannot be directly measured, but which play a vital role in quantum effects such as interference and entanglement. The l…