III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -139.8187143 |
correlated core | -139.8224624 |
difference | -0.0037481 |
Energy (hartrees) | |
---|---|
frozen core | -139.8187143 |
correlated core | -139.8224624 |
difference | -0.0037481 |
Energy (hartrees) | |
---|---|
frozen core | -139.8187143 |
correlated core | -139.8224624 |
difference | -0.0037481 |
Energy (hartrees) | |
---|---|
frozen core | -139.8187143 |
correlated core | -139.8224624 |
difference | -0.0037481 |