III.G.10.a. |
Energy differences between frozen core and full core for QCISD(TQ)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -26.0708642 |
correlated core | -26.0724091 |
difference | -0.0015448 |
Energy (hartrees) | |
---|---|
frozen core | -26.0708642 |
correlated core | -26.0724091 |
difference | -0.0015448 |
Energy (hartrees) | |
---|---|
frozen core | -26.0654966 |
correlated core | -26.0669574 |
difference | -0.0014607 |