III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -40.4623889 |
correlated core | -40.4639310 |
difference | -0.0015420 |
Energy (hartrees) | |
---|---|
frozen core | -40.4623889 |
correlated core | -40.4639278 |
difference | -0.0015389 |
Energy (hartrees) | |
---|---|
frozen core | -40.4623858 |
correlated core | -40.4639310 |
difference | -0.0015452 |
Energy (hartrees) | |
---|---|
frozen core | -40.4623858 |
correlated core | -40.4639278 |
difference | -0.0015420 |