III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -113.1698990 |
correlated core | -113.2259853 |
difference | -0.0560863 |
Energy (hartrees) | |
---|---|
frozen core | -113.1698990 |
correlated core | -113.2259850 |
difference | -0.0560860 |
Energy (hartrees) | |
---|---|
frozen core | -113.1698986 |
correlated core | -113.2259853 |
difference | -0.0560867 |
Energy (hartrees) | |
---|---|
frozen core | -113.1698986 |
correlated core | -113.2259850 |
difference | -0.0560864 |