III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -113.7059550 |
correlated core | -113.7631714 |
difference | -0.0572163 |
Energy (hartrees) | |
---|---|
frozen core | -113.7059546 |
correlated core | -113.7631714 |
difference | -0.0572168 |
Energy (hartrees) | |
---|---|
frozen core | -113.7059550 |
correlated core | -113.7631711 |
difference | -0.0572161 |
Energy (hartrees) | |
---|---|
frozen core | -113.7059546 |
correlated core | -113.7631711 |
difference | -0.0572165 |