III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -997.5509255 |
correlated core | -997.5805238 |
difference | -0.0295983 |
Energy (hartrees) | |
---|---|
frozen core | -997.5509255 |
correlated core | -997.5805238 |
difference | -0.0295984 |
Energy (hartrees) | |
---|---|
frozen core | -997.5484813 |
correlated core | -997.5781013 |
difference | -0.0296200 |