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. 2021 Apr 22;17(5):2868–2885. doi: 10.1021/acs.jctc.1c00081

Figure 13.

Figure 13

Convergence of the error in energy (relative to FCI) vs the PT2 “rest” energy (EPT2). The four ICE protocols used are compared with each other for all three MPBFs. A linear fit to the data is shown in dashed lines.