III.G.10.a. |
Energy differences between frozen core and full core for MP4/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -398.9383139 |
correlated core | -399.2703357 |
difference | -0.3320218 |
Energy (hartrees) | |
---|---|
frozen core | -398.9383139 |
correlated core | -399.2703357 |
difference | -0.3320218 |
Energy (hartrees) | |
---|---|
frozen core | -398.9383139 |
correlated core | -399.2703356 |
difference | -0.3320216 |
Energy (hartrees) | |
---|---|
frozen core | -398.9383139 |
correlated core | -399.2703356 |
difference | -0.3320216 |