III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -857.0223489 |
correlated core | -857.0907574 |
difference | -0.0684085 |
Energy (hartrees) | |
---|---|
frozen core | -857.0223489 |
correlated core | -857.0907567 |
difference | -0.0684078 |
Energy (hartrees) | |
---|---|
frozen core | -857.0223483 |
correlated core | -857.0907574 |
difference | -0.0684090 |
Energy (hartrees) | |
---|---|
frozen core | -857.0223483 |
correlated core | -857.0907567 |
difference | -0.0684084 |