III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -51.9108632 |
correlated core | -51.9648853 |
difference | -0.0540221 |
Energy (hartrees) | |
---|---|
frozen core | -51.9108628 |
correlated core | -51.9648853 |
difference | -0.0540225 |
Energy (hartrees) | |
---|---|
frozen core | -51.9108632 |
correlated core | -51.9648843 |
difference | -0.0540211 |
Energy (hartrees) | |
---|---|
frozen core | -51.9108628 |
correlated core | -51.9648843 |
difference | -0.0540215 |