III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pV(T+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -1209.7598671 |
correlated core | -1210.0796539 |
difference | -0.3197868 |
Energy (hartrees) | |
---|---|
frozen core | -1209.7598668 |
correlated core | -1210.0796539 |
difference | -0.3197870 |
Energy (hartrees) | |
---|---|
frozen core | -1209.7598671 |
correlated core | -1210.0796531 |
difference | -0.3197861 |
Energy (hartrees) | |
---|---|
frozen core | -1209.7598668 |
correlated core | -1210.0796531 |
difference | -0.3197863 |