III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -169.3054966 |
correlated core | -169.3077948 |
difference | -0.0022982 |
Energy (hartrees) | |
---|---|
frozen core | -169.3054966 |
correlated core | -169.3077948 |
difference | -0.0022982 |
Energy (hartrees) | |
---|---|
frozen core | -169.3054966 |
correlated core | -169.3077948 |
difference | -0.0022982 |
Energy (hartrees) | |
---|---|
frozen core | -169.3054966 |
correlated core | -169.3077948 |
difference | -0.0022982 |