Römelt, M., V. Krewald and D. Pantazis: Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese Complex. In: Journal of Chemical Theory and Computation 14, 1, 166-179 (2018).
doi: 10.1021/acs.jctc.7b01035
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