III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -290.4764595 |
correlated core | -290.5232296 |
difference | -0.0467701 |
Energy (hartrees) | |
---|---|
frozen core | -290.4764595 |
correlated core | -290.5232296 |
difference | -0.0467701 |
Energy (hartrees) | |
---|---|
frozen core | -290.4764595 |
correlated core | -290.5232291 |
difference | -0.0467696 |
Energy (hartrees) | |
---|---|
frozen core | -290.4764595 |
correlated core | -290.5232291 |
difference | -0.0467697 |