Nevertheless, r ≥ 3 is required to qualitatively converge LASSI[r,q], and this may be related to the fact that only for r ≥ 3 do model states appear in which all three fragments have triplet spin. These all-triplet model states have significant weight in the final wave function at dissociation (see Table of the SI). To access these states requires r = 3, as depicted on the left of Fig. . But because LASSI[r,q] includes all possible single-electron hops at each increment of r, setting r = 3 also accesses a large number of useless rootspaces such as that depicted in the bottom-right corner of Fig. . A product-state wave function, which generates each fragment's spin-flipped statelet individually and then automatically constructs all products of those statelets, would be a more efficient way to approach this system.