III.G.10.a. |
Energy differences between frozen core and full core for MP2/daug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -99.6123751 |
correlated core | -99.6249215 |
difference | -0.0125464 |
Energy (hartrees) | |
---|---|
frozen core | -99.6123751 |
correlated core | -99.6249215 |
difference | -0.0125464 |
Energy (hartrees) | |
---|---|
frozen core | -99.6123751 |
correlated core | -99.6249215 |
difference | -0.0125464 |
Energy (hartrees) | |
---|---|
frozen core | -99.6123751 |
correlated core | -99.6249215 |
difference | -0.0125464 |