III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For (Methyl Magnesium Bromide)Energy (hartrees) | |
---|---|
frozen core | -833.3435438 |
correlated core | -833.3620209 |
difference | -0.0184771 |
Energy (hartrees) | |
---|---|
frozen core | -833.3435434 |
correlated core | -833.3620209 |
difference | -0.0184775 |
Energy (hartrees) | |
---|---|
frozen core | -833.3435438 |
correlated core | -833.3620205 |
difference | -0.0184767 |
Energy (hartrees) | |
---|---|
frozen core | -833.3435434 |
correlated core | -833.3620205 |
difference | -0.0184771 |