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

Figure 8.

Figure 8

Number of determinants (bars) and average run time for the RASSCF module in OpenMolcas (line) for the largest active spaces in PASS. The run time is normalized relative to the fastest active space for each molecule. A logarithmic scale is used on the y axis.