Browsing Science (Faculty of) by Author "Wu, Siyuan"
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Investigations of Magnetic Model Systems Using Coupled Cluster Based Approaches
Wu, Siyuan (University of Waterloo, 2017-08-23)Over the past decades, the quantum mechanical description of magnetic phenomena has been well developed. However, the first principle calculations of the physical properties of magnetic systems is still a challenge. One ... -
Multireference equation of motion coupled cluster benchmark study of magnetic model systems
Wu, Siyuan; Steffen, Johnathan; Hu, Piaoyu; Nooijen, Marcel (Elsevier, 2018-04-15)The multireference equation of motion coupled cluster (MREOM-CC) approach including spin-orbit coupling is applied to magnetic model systems FArO, FArOF and FArFOH, and compared to benchmark multireference Configuration ...