III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -397.8832203 |
correlated core | -397.9174401 |
difference | -0.0342198 |
Energy (hartrees) | |
---|---|
frozen core | -397.8832200 |
correlated core | -397.9174401 |
difference | -0.0342201 |
Energy (hartrees) | |
---|---|
frozen core | -397.8832203 |
correlated core | -397.9174397 |
difference | -0.0342194 |
Energy (hartrees) | |
---|---|
frozen core | -397.8832200 |
correlated core | -397.9174397 |
difference | -0.0342197 |