III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -94.4387944 |
correlated core | -94.4680795 |
difference | -0.0292851 |
Energy (hartrees) | |
---|---|
frozen core | -94.4387944 |
correlated core | -94.4680795 |
difference | -0.0292851 |
Energy (hartrees) | |
---|---|
frozen core | -94.4387945 |
correlated core | -94.4680795 |
difference | -0.0292850 |