III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2078.0043932 |
correlated core | -2078.0075798 |
difference | -0.0031866 |
Energy (hartrees) | |
---|---|
frozen core | -2078.0043674 |
correlated core | -2078.0075798 |
difference | -0.0032125 |
Energy (hartrees) | |
---|---|
frozen core | -2078.0043932 |
correlated core | -2078.0075540 |
difference | -0.0031608 |
Energy (hartrees) | |
---|---|
frozen core | -2078.0043674 |
correlated core | -2078.0075540 |
difference | -0.0031866 |