III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.7207574 |
correlated core | -79.7223718 |
difference | -0.0016144 |
Energy (hartrees) | |
---|---|
frozen core | -79.7207592 |
correlated core | -79.7223718 |
difference | -0.0016126 |
Energy (hartrees) | |
---|---|
frozen core | -79.7207574 |
correlated core | -79.7223736 |
difference | -0.0016161 |
Energy (hartrees) | |
---|---|
frozen core | -79.7207592 |
correlated core | -79.7223736 |
difference | -0.0016144 |