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. 2022 Mar 17;126(12):2050–2060. doi: 10.1021/acs.jpca.2c01338

Figure 9.

Figure 9

Number of iterations required to achieve convergence up to 1 × 10–5Eh in a fully deterministic imaginary-time propagation for the 1Δg state of oxygen in an (8,6) active space.