III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For SO2 (Oxalyl chloride)Energy (hartrees) | |
---|---|
frozen core | -76.0707272 |
correlated core | -76.0729101 |
difference | -0.0021829 |
Energy (hartrees) | |
---|---|
frozen core | -76.0707272 |
correlated core | -76.0729101 |
difference | -0.0021829 |
Energy (hartrees) | |
---|---|
frozen core | -76.0707272 |
correlated core | -76.0729101 |
difference | -0.0021829 |
Energy (hartrees) | |
---|---|
frozen core | -76.0707272 |
correlated core | -76.0729101 |
difference | -0.0021829 |
Energy (hartrees) | |
---|---|
frozen core | -76.0707273 |
correlated core | -76.0729102 |
difference | -0.0021829 |