Wednesday, February 20, 2019

Non-empirical calculation of X-ray magnetic circular dichroism in lanthanide compounds

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Chem. Commun., 2019, Advance Article
DOI: 10.1039/C8CC09321K, Communication
Open Access Open Access
Harry Ramanantoanina, Michał Studniarek, Niéli Daffé, Jan Dreiser
Ligand-field density functional theory is shown to perform well for the calculation of circularly and linearly polarized X-ray absorption spectra.
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