III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -579.1379682 |
correlated core | -579.2295641 |
difference | -0.0915959 |
Energy (hartrees) | |
---|---|
frozen core | -579.1673215 |
correlated core | -579.2570539 |
difference | -0.0897323 |
Energy (hartrees) | |
---|---|
frozen core | -579.1977038 |
correlated core | -579.2873753 |
difference | -0.0896716 |
Energy (hartrees) | |
---|---|
frozen core | -579.1821419 |
correlated core | -579.2722159 |
difference | -0.0900740 |