III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -208.5435578 |
correlated core | -208.5604873 |
difference | -0.0169295 |
Energy (hartrees) | |
---|---|
frozen core | -208.5435584 |
correlated core | -208.5604873 |
difference | -0.0169289 |
Energy (hartrees) | |
---|---|
frozen core | -208.5435584 |
correlated core | -208.5604873 |
difference | -0.0169289 |
Energy (hartrees) | |
---|---|
frozen core | -208.5438417 |
correlated core | -208.5598303 |
difference | -0.0159887 |