III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -398.9088179 |
correlated core | -398.9478645 |
difference | -0.0390465 |
Energy (hartrees) | |
---|---|
frozen core | -398.9088179 |
correlated core | -398.9478645 |
difference | -0.0390465 |
Energy (hartrees) | |
---|---|
frozen core | -398.9088178 |
correlated core | -398.9478645 |
difference | -0.0390467 |