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.
| # | Route | Variational energy (Eh) ↓ | vs baseline |
|---|---|---|---|
| — | Baseline · TrimCI_202511_6e7 on 4fe_4s_54e_36o (issue #58) | -327.175 | the bars start here |