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. 2017 Nov 7;13(12):6089–6100. doi: 10.1021/acs.jctc.7b00998

Figure 8.

Figure 8

Comparison of the ZPO wave function for singlet (a) and triplet (d) state with the wave function provided by the constrained search method for the density ρ2(x) with λ = 500 (respectively, panels b and e). Panels c and f show, respectively, the difference between panels a and b and the difference between panels d and e.