III.G.10.a. |
Energy differences between frozen core and full core for MP2/daug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2619604 |
correlated core | -76.2644990 |
difference | -0.0025386 |
Energy (hartrees) | |
---|---|
frozen core | -76.2619604 |
correlated core | -76.2644989 |
difference | -0.0025385 |
Energy (hartrees) | |
---|---|
frozen core | -76.2619604 |
correlated core | -76.2644990 |
difference | -0.0025386 |
Energy (hartrees) | |
---|---|
frozen core | -76.2619604 |
correlated core | -76.2644989 |
difference | -0.0025386 |