III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -139.3480818 |
correlated core | -139.3518038 |
difference | -0.0037220 |
Energy (hartrees) | |
---|---|
frozen core | -139.3480818 |
correlated core | -139.3518038 |
difference | -0.0037220 |
Energy (hartrees) | |
---|---|
frozen core | -139.3480818 |
correlated core | -139.3518038 |
difference | -0.0037220 |
Energy (hartrees) | |
---|---|
frozen core | -139.3480818 |
correlated core | -139.3518038 |
difference | -0.0037220 |