III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -342.3033772 |
correlated core | -342.3468024 |
difference | -0.0434252 |
Energy (hartrees) | |
---|---|
frozen core | -342.3033771 |
correlated core | -342.3468024 |
difference | -0.0434253 |
Energy (hartrees) | |
---|---|
frozen core | -342.3033772 |
correlated core | -342.3468023 |
difference | -0.0434252 |
Energy (hartrees) | |
---|---|
frozen core | -342.3033771 |
correlated core | -342.3468023 |
difference | -0.0434252 |