Improvement of d-d interactions in density functional tight binding for transition metal ions with a ligand field model: assessment of a DFTB3+U model on nickel coordination compounds
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| Description | scientific article published on 21 November 2020 |
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author: Pablo García-Fernández Maja Gruden Qiang Cui Marcus Elstner |
| Publication date | November 21, 2020 |
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