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Performance of range-separated hybrid exchange-correlation functionals for the calculation of magnetic exchange

Suranjan Shil1, Carmen Herrmann1

  • 1Institute for Inorganic and Applied Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, Hamburg, 20146, Germany.

Journal of Computational Chemistry
|December 28, 2017
PubMed

Keywords:
magnetic exchange couplingorganic diradicalrange-separated hybrid functional

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