III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -139.6284091 |
correlated core | -139.6514098 |
difference | -0.0230007 |
Energy (hartrees) | |
---|---|
frozen core | -139.6284092 |
correlated core | -139.6514098 |
difference | -0.0230006 |
Energy (hartrees) | |
---|---|
frozen core | -139.6284091 |
correlated core | -139.6514105 |
difference | -0.0230014 |
Energy (hartrees) | |
---|---|
frozen core | -139.6284092 |
correlated core | -139.6514105 |
difference | -0.0230013 |