III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -152.5456373 |
correlated core | -152.5597345 |
difference | -0.0140972 |
Energy (hartrees) | |
---|---|
frozen core | -152.5456373 |
correlated core | -152.5597345 |
difference | -0.0140972 |
Energy (hartrees) | |
---|---|
frozen core | -152.5456373 |
correlated core | -152.5597350 |
difference | -0.0140977 |
Energy (hartrees) | |
---|---|
frozen core | -152.5456373 |
correlated core | -152.5597350 |
difference | -0.0140977 |