III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVDZ
For (Cyclopentanol)Energy (hartrees) | |
---|---|
frozen core | -324.3406303 |
correlated core | -324.3417279 |
difference | -0.0010975 |
Energy (hartrees) | |
---|---|
frozen core | -324.3406303 |
correlated core | -324.3417289 |
difference | -0.0010986 |
Energy (hartrees) | |
---|---|
frozen core | -324.3406314 |
correlated core | -324.3417279 |
difference | -0.0010964 |
Energy (hartrees) | |
---|---|
frozen core | -324.3406314 |
correlated core | -324.3417289 |
difference | -0.0010975 |