III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -199.4520954 |
correlated core | -199.5151090 |
difference | -0.0630135 |
Energy (hartrees) | |
---|---|
frozen core | -199.4520954 |
correlated core | -199.5151090 |
difference | -0.0630136 |
Energy (hartrees) | |
---|---|
frozen core | -199.4520954 |
correlated core | -199.5151089 |
difference | -0.0630134 |
Energy (hartrees) | |
---|---|
frozen core | -199.4520954 |
correlated core | -199.5151089 |
difference | -0.0630135 |