III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/daug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -188.4708123 |
correlated core | -188.4732145 |
difference | -0.0024022 |
Energy (hartrees) | |
---|---|
frozen core | -188.4708110 |
correlated core | -188.4732145 |
difference | -0.0024035 |
Energy (hartrees) | |
---|---|
frozen core | -188.4708123 |
correlated core | -188.4732131 |
difference | -0.0024008 |
Energy (hartrees) | |
---|---|
frozen core | -188.4708110 |
correlated core | -188.4732131 |
difference | -0.0024022 |