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Can double exchange interaction be accurately calculated using DFT. The answer is Yes, here with the combination of TDDFT-DFT, we have established a protocol to compute double exchange in mixed valence complexes
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This page is a summary of: Enhancing the double exchange interaction in a mixed valence {VIII–VII} pair: a theoretical perspective, Dalton Transactions, January 2013, Royal Society of Chemistry,
DOI: 10.1039/c3dt51935j.
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