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. 2022 Feb 8;43(8):568–576. doi: 10.1002/jcc.26814

FIGURE 6.

FIGURE 6

Raw deviations (in kJ mol−1) of CP‐corrected HF electronic energies of individual monomers in the 16‐molecule benzene cluster with increasing cut‐off radius. CP‐corrected HF/cc‐pVQZ electronic energy for each monomer was taken as the benchmark