III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -79.7073951 |
correlated core | -79.7101263 |
difference | -0.0027311 |
Energy (hartrees) | |
---|---|
frozen core | -79.7073951 |
correlated core | -79.7101263 |
difference | -0.0027311 |
Energy (hartrees) | |
---|---|
frozen core | -79.7073970 |
correlated core | -79.7101263 |
difference | -0.0027292 |
Energy (hartrees) | |
---|---|
frozen core | -79.7073951 |
correlated core | -79.7101283 |
difference | -0.0027331 |
Energy (hartrees) | |
---|---|
frozen core | -79.7073951 |
correlated core | -79.7101283 |
difference | -0.0027331 |
Energy (hartrees) | |
---|---|
frozen core | -79.7073970 |
correlated core | -79.7101283 |
difference | -0.0027312 |