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. 2022 Jul 25;5:84. doi: 10.1038/s42004-022-00701-8

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Fig. 2 — a,c,e The energy deviations from the CASCI values in (a) R(N–N) = 1.0 Å, (c) R(N–N) = 2.0 Å, and (e) R(N–N) = 3.0 Å. b, d, f The square overlaps with the CASCI wave function in (b) R(N–N) = 1.0 Å, (d) R(N–N) = 2.0 Å, and (f) R(N–N) = 3.0 Å.