III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -76.3947987 |
correlated core | -76.3996358 |
difference | -0.0048372 |
Energy (hartrees) | |
---|---|
frozen core | -76.3947987 |
correlated core | -76.3996361 |
difference | -0.0048374 |
Energy (hartrees) | |
---|---|
frozen core | -76.3947989 |
correlated core | -76.3996358 |
difference | -0.0048370 |
Energy (hartrees) | |
---|---|
frozen core | -76.3947989 |
correlated core | -76.3996361 |
difference | -0.0048372 |