III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G(2df,p)
For (Fluoroacetylene)Energy (hartrees) | |
---|---|
frozen core | -1921.4707972 |
correlated core | -1921.5450979 |
difference | -0.0743006 |
Energy (hartrees) | |
---|---|
frozen core | -1921.4707972 |
correlated core | -1921.5450979 |
difference | -0.0743006 |
Energy (hartrees) | |
---|---|
frozen core | -1921.4707972 |
correlated core | -1921.5450979 |
difference | -0.0743006 |
Energy (hartrees) | |
---|---|
frozen core | -1921.4707972 |
correlated core | -1921.5450979 |
difference | -0.0743006 |