III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -90.4078836 |
correlated core | -90.4293382 |
difference | -0.0214546 |
Energy (hartrees) | |
---|---|
frozen core | -90.4078836 |
correlated core | -90.4293382 |
difference | -0.0214546 |
Energy (hartrees) | |
---|---|
frozen core | -90.4067548 |
correlated core | -90.4290645 |
difference | -0.0223097 |