III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/daug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -93.3533474 |
correlated core | -93.3549230 |
difference | -0.0015756 |
Energy (hartrees) | |
---|---|
frozen core | -93.3533477 |
correlated core | -93.3549230 |
difference | -0.0015753 |
Energy (hartrees) | |
---|---|
frozen core | -93.3533474 |
correlated core | -93.3549233 |
difference | -0.0015759 |
Energy (hartrees) | |
---|---|
frozen core | -93.3533477 |
correlated core | -93.3549233 |
difference | -0.0015756 |