III.G.10.a. |
Energy differences between frozen core and full core for QCISD(TQ)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.3322240 |
correlated core | -76.3457892 |
difference | -0.0135652 |
Energy (hartrees) | |
---|---|
frozen core | -76.3322241 |
correlated core | -76.3457892 |
difference | -0.0135651 |
Energy (hartrees) | |
---|---|
frozen core | -76.3322240 |
correlated core | -76.3457891 |
difference | -0.0135651 |
Energy (hartrees) | |
---|---|
frozen core | -76.3322241 |
correlated core | -76.3457891 |
difference | -0.0135650 |