III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -139.7006187 |
correlated core | -139.7503051 |
difference | -0.0496864 |
Energy (hartrees) | |
---|---|
frozen core | -139.7006187 |
correlated core | -139.7503051 |
difference | -0.0496864 |
Energy (hartrees) | |
---|---|
frozen core | -139.7006187 |
correlated core | -139.7503052 |
difference | -0.0496865 |
Energy (hartrees) | |
---|---|
frozen core | -139.7006187 |
correlated core | -139.7503052 |
difference | -0.0496865 |