III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -39.0565586 |
correlated core | -39.1034735 |
difference | -0.0469149 |
Energy (hartrees) | |
---|---|
frozen core | -39.0565586 |
correlated core | -39.1034735 |
difference | -0.0469149 |
Energy (hartrees) | |
---|---|
frozen core | -39.0565586 |
correlated core | -39.1034735 |
difference | -0.0469149 |
Energy (hartrees) | |
---|---|
frozen core | -39.0565586 |
correlated core | -39.1034735 |
difference | -0.0469149 |