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. 2020 Sep 21;16(11):6869–6879. doi: 10.1021/acs.jctc.0c00707

Table 3. Average Wall Times to Solve for the Ground State Equations, tgs, and Average Time for Transformations by AT (tAT) and A (tA) of Adenosine (Conformer 1).

model tgs [ min ] tA [ min ] tAT [ min ]
CCSD-in-HF 19 2 3
MLCCSD 22 2 3
CCSD 128 11 14