III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -76.3633819 |
correlated core | -76.3686427 |
difference | -0.0052608 |
Energy (hartrees) | |
---|---|
frozen core | -76.3633819 |
correlated core | -76.3686433 |
difference | -0.0052613 |
Energy (hartrees) | |
---|---|
frozen core | -76.3633825 |
correlated core | -76.3686427 |
difference | -0.0052602 |
Energy (hartrees) | |
---|---|
frozen core | -76.3633825 |
correlated core | -76.3686433 |
difference | -0.0052607 |