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 |