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On Achieving High Accuracy in Quantum Chemical Calculations of 3 d Transition Metal-Containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules

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Description scientific article published on 27 March 2019
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author: James Shee  Benjamin Rudshteyn 

Publication date March 27, 2019
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