Improvement of Ab Initio Ligand Field Theory by Means of Multistate Perturbation Theory.

J Phys Chem A · 2020 · PMC7307914 · PMID 31977214

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a clear trendno p-value reported

One can observe that there is a clear trend toward slightly larger ligand field splittings when using multistate perturbation theory methods compared to the state-specific NEVPT2.

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