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Showing 1 to 1 of 1 for “"strong electronic correlation"”.

  1. Accounting for Strong Electronic Correlation in Metalloproteins

    … standpoint, accurately modelling the electronic structure of the OEC and other metalloproteins \emph{ab initio} is difficult, due to two challenges. Firstly, there is that of the strong electronic correlation present due to the partially-filled $3d$-subshells of the transition metal …

    cambridge Repository record for Accounting for Strong Electronic Correlation in Metalloproteins (opens in a new tab)