III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -115.1078451 |
correlated core | -115.1370555 |
difference | -0.0292104 |
Energy (hartrees) | |
---|---|
frozen core | -115.1078451 |
correlated core | -115.1370556 |
difference | -0.0292105 |
Energy (hartrees) | |
---|---|
frozen core | -115.1078452 |
correlated core | -115.1370555 |
difference | -0.0292104 |
Energy (hartrees) | |
---|---|
frozen core | -115.1078452 |
correlated core | -115.1370556 |
difference | -0.0292105 |
Energy (hartrees) | |
---|---|
frozen core | -115.1112889 |
correlated core | -115.1407804 |
difference | -0.0294915 |