III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1403.8496606 |
correlated core | -1403.8746687 |
difference | -0.0250081 |
Energy (hartrees) | |
---|---|
frozen core | -1403.8496600 |
correlated core | -1403.8746687 |
difference | -0.0250087 |
Energy (hartrees) | |
---|---|
frozen core | -1403.8496606 |
correlated core | -1403.8746681 |
difference | -0.0250075 |
Energy (hartrees) | |
---|---|
frozen core | -1403.8496600 |
correlated core | -1403.8746681 |
difference | -0.0250081 |