III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G*
For ()Energy (hartrees) | |
---|---|
frozen core | -39.6085554 |
correlated core | -39.6101016 |
difference | -0.0015461 |
Energy (hartrees) | |
---|---|
frozen core | -39.5643386 |
correlated core | -39.5658974 |
difference | -0.0015588 |
Energy (hartrees) | |
---|---|
frozen core | -39.6116974 |
correlated core | -39.6132683 |
difference | -0.0015709 |