III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311+G(3df,2p)
For (beryllium monohydroxide)Energy (hartrees) | |
---|---|
frozen core | -117.6090068 |
correlated core | -117.6755386 |
difference | -0.0665318 |
Energy (hartrees) | |
---|---|
frozen core | -117.6090068 |
correlated core | -117.6755387 |
difference | -0.0665319 |
Energy (hartrees) | |
---|---|
frozen core | -117.6090068 |
correlated core | -117.6755386 |
difference | -0.0665319 |
Energy (hartrees) | |
---|---|
frozen core | -117.6090068 |
correlated core | -117.6755387 |
difference | -0.0665319 |