III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -1209.5601189 |
correlated core | -1209.7818870 |
difference | -0.2217680 |
Energy (hartrees) | |
---|---|
frozen core | -1209.5601189 |
correlated core | -1209.7818870 |
difference | -0.2217680 |
Energy (hartrees) | |
---|---|
frozen core | -1209.5601190 |
correlated core | -1209.7818870 |
difference | -0.2217679 |
Energy (hartrees) | |
---|---|
frozen core | -1209.5601189 |
correlated core | -1209.7818870 |
difference | -0.2217680 |
Energy (hartrees) | |
---|---|
frozen core | -1209.5601189 |
correlated core | -1209.7818870 |
difference | -0.2217680 |
Energy (hartrees) | |
---|---|
frozen core | -1209.5601190 |
correlated core | -1209.7818870 |
difference | -0.2217679 |