III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -77.1857355 |
correlated core | -77.2422698 |
difference | -0.0565344 |
Energy (hartrees) | |
---|---|
frozen core | -77.1857355 |
correlated core | -77.2422698 |
difference | -0.0565344 |
Energy (hartrees) | |
---|---|
frozen core | -77.1857355 |
correlated core | -77.2422698 |
difference | -0.0565344 |
Energy (hartrees) | |
---|---|
frozen core | -77.1857355 |
correlated core | -77.2422698 |
difference | -0.0565344 |