III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -152.7674875 |
correlated core | -152.7689556 |
difference | -0.0014681 |
Energy (hartrees) | |
---|---|
frozen core | -152.7674869 |
correlated core | -152.7689556 |
difference | -0.0014687 |
Energy (hartrees) | |
---|---|
frozen core | -152.7674875 |
correlated core | -152.7689556 |
difference | -0.0014681 |
Energy (hartrees) | |
---|---|
frozen core | -152.7674869 |
correlated core | -152.7689556 |
difference | -0.0014687 |