III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For (Allyl Fluoride)Energy (hartrees) | |
---|---|
frozen core | -1923.2278306 |
correlated core | -1923.2347696 |
difference | -0.0069390 |
Energy (hartrees) | |
---|---|
frozen core | -1923.2278306 |
correlated core | -1923.2347696 |
difference | -0.0069390 |
Energy (hartrees) | |
---|---|
frozen core | -1923.2278306 |
correlated core | -1923.2347696 |
difference | -0.0069390 |
Energy (hartrees) | |
---|---|
frozen core | -1923.2278306 |
correlated core | -1923.2347696 |
difference | -0.0069390 |