III.G.10.a. |
Energy differences between frozen core and full core for QCISD(TQ)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -26.0940983 |
correlated core | -26.1068035 |
difference | -0.0127053 |
Energy (hartrees) | |
---|---|
frozen core | -26.0940981 |
correlated core | -26.1068035 |
difference | -0.0127054 |
Energy (hartrees) | |
---|---|
frozen core | -26.0882456 |
correlated core | -26.1011287 |
difference | -0.0128831 |