III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -152.7040329 |
correlated core | -152.7651090 |
difference | -0.0610761 |
Energy (hartrees) | |
---|---|
frozen core | -152.7040329 |
correlated core | -152.7651090 |
difference | -0.0610761 |
Energy (hartrees) | |
---|---|
frozen core | -152.7040329 |
correlated core | -152.7651085 |
difference | -0.0610756 |
Energy (hartrees) | |
---|---|
frozen core | -152.7040329 |
correlated core | -152.7651085 |
difference | -0.0610757 |