III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -1209.1691487 |
correlated core | -1209.1785593 |
difference | -0.0094107 |
Energy (hartrees) | |
---|---|
frozen core | -1209.1691487 |
correlated core | -1209.1785593 |
difference | -0.0094107 |
Energy (hartrees) | |
---|---|
frozen core | -1209.1691487 |
correlated core | -1209.1785593 |
difference | -0.0094107 |
Energy (hartrees) | |
---|---|
frozen core | -1209.1691487 |
correlated core | -1209.1785593 |
difference | -0.0094107 |