III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -90.4883556 |
correlated core | -90.4894593 |
difference | -0.0011037 |
Energy (hartrees) | |
---|---|
frozen core | -90.4891325 |
correlated core | -90.4894593 |
difference | -0.0003268 |
Energy (hartrees) | |
---|---|
frozen core | -90.4883556 |
correlated core | -90.4901791 |
difference | -0.0018235 |
Energy (hartrees) | |
---|---|
frozen core | -90.4891325 |
correlated core | -90.4901791 |
difference | -0.0010465 |
Energy (hartrees) | |
---|---|
frozen core | -90.4883556 |
correlated core | -90.4894593 |
difference | -0.0011037 |