III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For (Boron Gallium)Energy (hartrees) | |
---|---|
frozen core | -241.8892157 |
correlated core | -241.8992264 |
difference | -0.0100108 |
Energy (hartrees) | |
---|---|
frozen core | -241.8892157 |
correlated core | -241.8992264 |
difference | -0.0100108 |
Energy (hartrees) | |
---|---|
frozen core | -241.8892157 |
correlated core | -241.8992264 |
difference | -0.0100108 |
Energy (hartrees) | |
---|---|
frozen core | -241.8892157 |
correlated core | -241.8992264 |
difference | -0.0100108 |