III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -164.1053830 |
correlated core | -164.1088763 |
difference | -0.0034933 |
Energy (hartrees) | |
---|---|
frozen core | -164.1053830 |
correlated core | -164.1088771 |
difference | -0.0034941 |
Energy (hartrees) | |
---|---|
frozen core | -164.1053838 |
correlated core | -164.1088763 |
difference | -0.0034925 |
Energy (hartrees) | |
---|---|
frozen core | -164.1053838 |
correlated core | -164.1088771 |
difference | -0.0034933 |