Browsing Science (Faculty of) by Subject "Transition Metals"
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Towards a new implementation of ‘MREOM-CC’, with application to MO+ dimers (M = V, Cr, Mn, Fe, Co, Ni)
(University of Waterloo, 2018-01-24)Multi Reference Equation of Motion Coupled Cluster (MREOM-CC) is an electronic structure method that allows the calculation of many electronic states simultaneously. A sequence of transformations are ...