III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For (boron dihydride)Energy (hartrees) | |
---|---|
frozen core | -1921.2364258 |
correlated core | -1921.2610355 |
difference | -0.0246097 |
Energy (hartrees) | |
---|---|
frozen core | -1921.2364258 |
correlated core | -1921.2610355 |
difference | -0.0246097 |
Energy (hartrees) | |
---|---|
frozen core | -1921.2364258 |
correlated core | -1921.2610355 |
difference | -0.0246097 |
Energy (hartrees) | |
---|---|
frozen core | -1921.2364258 |
correlated core | -1921.2610355 |
difference | -0.0246097 |