III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -40.3876260 |
correlated core | -40.3903182 |
difference | -0.0026922 |
Energy (hartrees) | |
---|---|
frozen core | -40.3876260 |
correlated core | -40.3903179 |
difference | -0.0026919 |
Energy (hartrees) | |
---|---|
frozen core | -40.3876260 |
correlated core | -40.3903182 |
difference | -0.0026922 |
Energy (hartrees) | |
---|---|
frozen core | -40.3876260 |
correlated core | -40.3903179 |
difference | -0.0026919 |