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Find the lowest variational energy of the [4Fe-4S] (54e, 36o) Hamiltonian

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.

—Variational energy (Eh)

基线 -327.175 仍未被超过