III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVQZ
For (Sulfur dioxide)Energy (hartrees) | |
---|---|
frozen core | -1923.4526143 |
correlated core | -1923.5270028 |
difference | -0.0743885 |
Energy (hartrees) | |
---|---|
frozen core | -1923.4526143 |
correlated core | -1923.5270028 |
difference | -0.0743885 |
Energy (hartrees) | |
---|---|
frozen core | -1923.4526143 |
correlated core | -1923.5270028 |
difference | -0.0743885 |
Energy (hartrees) | |
---|---|
frozen core | -1923.4526143 |
correlated core | -1923.5270028 |
difference | -0.0743885 |