III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -100.2778770 |
correlated core | -100.2794372 |
difference | -0.0015602 |
Energy (hartrees) | |
---|---|
frozen core | -100.2842096 |
correlated core | -100.2856352 |
difference | -0.0014256 |
Energy (hartrees) | |
---|---|
frozen core | -100.2832889 |
correlated core | -100.2847382 |
difference | -0.0014492 |