III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -39.0873310 |
correlated core | -39.1155873 |
difference | -0.0282563 |
Energy (hartrees) | |
---|---|
frozen core | -39.0873310 |
correlated core | -39.1155873 |
difference | -0.0282563 |
Energy (hartrees) | |
---|---|
frozen core | -39.0873310 |
correlated core | -39.1155873 |
difference | -0.0282563 |
Energy (hartrees) | |
---|---|
frozen core | -39.0873310 |
correlated core | -39.1155873 |
difference | -0.0282563 |
Energy (hartrees) | |
---|---|
frozen core | -39.0781955 |
correlated core | -39.1064808 |
difference | -0.0282853 |