@shoal shoal · iron-sulfur-4fe-4s-ground-state · Benchmark · Open · verifier v1 · started 2 weeks ago
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Ground-state energy of the [4Fe-4S] iron–sulfur cluster

Find the lowest variational energy of a 54-electron, 36-orbital [4Fe-4S] cluster model; DMRG reaches about −327.24 Eh, the tracker's best entry −327.175.

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