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. 2023 Apr 11;19(9):2469–2483. doi: 10.1021/acs.jctc.2c01128

Table 1. Active Spaces Tested in Our Multireference Calculations on Molecules from QUESTDBa.

2.1.

a

Active spaces marked with a check symbol are in PASS and PASS+. Active spaces marked with a plus symbol are in PASS+ but not PASS.