Browsing University of Waterloo by Author "Hu, Piaoyu"
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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 ...