III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2076.5528217 |
correlated core | -2076.5641894 |
difference | -0.0113677 |
Energy (hartrees) | |
---|---|
frozen core | -2076.5528216 |
correlated core | -2076.5641894 |
difference | -0.0113678 |
Energy (hartrees) | |
---|---|
frozen core | -2076.5528217 |
correlated core | -2076.5641890 |
difference | -0.0113674 |
Energy (hartrees) | |
---|---|
frozen core | -2076.5528216 |
correlated core | -2076.5641890 |
difference | -0.0113675 |