III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.5880798 |
correlated core | -79.5936956 |
difference | -0.0056158 |
Energy (hartrees) | |
---|---|
frozen core | -79.5880797 |
correlated core | -79.5936956 |
difference | -0.0056158 |
Energy (hartrees) | |
---|---|
frozen core | -79.5880798 |
correlated core | -79.5936955 |
difference | -0.0056157 |
Energy (hartrees) | |
---|---|
frozen core | -79.5880797 |
correlated core | -79.5936955 |
difference | -0.0056158 |
Energy (hartrees) | |
---|---|
frozen core | -79.5834120 |
correlated core | -79.5890197 |
difference | -0.0056076 |