III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -208.6431437 |
correlated core | -208.6745382 |
difference | -0.0313945 |
Energy (hartrees) | |
---|---|
frozen core | -208.6431437 |
correlated core | -208.6745382 |
difference | -0.0313945 |
Energy (hartrees) | |
---|---|
frozen core | -208.6429562 |
correlated core | -208.6745238 |
difference | -0.0315676 |