III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pV(T+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -460.5316380 |
correlated core | -460.6371846 |
difference | -0.1055467 |
Energy (hartrees) | |
---|---|
frozen core | -460.5316377 |
correlated core | -460.6371846 |
difference | -0.1055470 |
Energy (hartrees) | |
---|---|
frozen core | -460.5316380 |
correlated core | -460.6371843 |
difference | -0.1055463 |
Energy (hartrees) | |
---|---|
frozen core | -460.5316377 |
correlated core | -460.6371843 |
difference | -0.1055466 |