III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pV(D+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -398.8719672 |
correlated core | -398.9250871 |
difference | -0.0531199 |
Energy (hartrees) | |
---|---|
frozen core | -398.8719672 |
correlated core | -398.9250871 |
difference | -0.0531199 |
Energy (hartrees) | |
---|---|
frozen core | -398.8719673 |
correlated core | -398.9250871 |
difference | -0.0531198 |
Energy (hartrees) | |
---|---|
frozen core | -398.8719672 |
correlated core | -398.9250871 |
difference | -0.0531199 |
Energy (hartrees) | |
---|---|
frozen core | -398.8719672 |
correlated core | -398.9250871 |
difference | -0.0531199 |
Energy (hartrees) | |
---|---|
frozen core | -398.8719673 |
correlated core | -398.9250871 |
difference | -0.0531198 |
Energy (hartrees) | |
---|---|
frozen core | -398.8719672 |
correlated core | -398.9250871 |
difference | -0.0531199 |
Energy (hartrees) | |
---|---|
frozen core | -398.8719672 |
correlated core | -398.9250871 |
difference | -0.0531199 |
Energy (hartrees) | |
---|---|
frozen core | -398.8719673 |
correlated core | -398.9250871 |
difference | -0.0531197 |