III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -129.8142186 |
correlated core | -129.8155602 |
difference | -0.0013416 |
Energy (hartrees) | |
---|---|
frozen core | -129.8142186 |
correlated core | -129.8155602 |
difference | -0.0013416 |
Energy (hartrees) | |
---|---|
frozen core | -129.8142186 |
correlated core | -129.8155602 |
difference | -0.0013416 |
Energy (hartrees) | |
---|---|
frozen core | -129.8142186 |
correlated core | -129.8155602 |
difference | -0.0013416 |