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Comparison of SCF performance between (a) SCF-LOSC2 and (b) the original SCF-LOSC2 with approximate Hamiltonian (Approx-SCF-LOSC2) for polyacetylene (n = 9). En is the total energy at n-th iteration step and ΔEn = En − En−1. BLYP is used as the parent functional. 6–31g* is used as the basis set. aug-cc-pVTZ-RIFIT is used as the density fitting basis in LOSC2 curvature matrix construction.
