III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.7717647 |
correlated core | -79.7811126 |
difference | -0.0093479 |
Energy (hartrees) | |
---|---|
frozen core | -79.7717670 |
correlated core | -79.7811126 |
difference | -0.0093457 |
Energy (hartrees) | |
---|---|
frozen core | -79.7717647 |
correlated core | -79.7811150 |
difference | -0.0093503 |
Energy (hartrees) | |
---|---|
frozen core | -79.7717670 |
correlated core | -79.7811150 |
difference | -0.0093480 |