III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.3797570 |
correlated core | -76.3804727 |
difference | -0.0007157 |
Energy (hartrees) | |
---|---|
frozen core | -76.3797570 |
correlated core | -76.3804732 |
difference | -0.0007162 |
Energy (hartrees) | |
---|---|
frozen core | -76.3797576 |
correlated core | -76.3804727 |
difference | -0.0007151 |
Energy (hartrees) | |
---|---|
frozen core | -76.3797576 |
correlated core | -76.3804732 |
difference | -0.0007157 |