III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -90.3274796 |
correlated core | -90.3300034 |
difference | -0.0025238 |
Energy (hartrees) | |
---|---|
frozen core | -90.3264793 |
correlated core | -90.3300034 |
difference | -0.0035240 |
Energy (hartrees) | |
---|---|
frozen core | -90.3274796 |
correlated core | -90.3307785 |
difference | -0.0032989 |
Energy (hartrees) | |
---|---|
frozen core | -90.3264793 |
correlated core | -90.3307785 |
difference | -0.0042992 |
Energy (hartrees) | |
---|---|
frozen core | -90.3264793 |
correlated core | -90.3300034 |
difference | -0.0035240 |