III.G.10.a. |
Energy differences between frozen core and full core for MP4/6-311G**
For (tetrabromoethene)Energy (hartrees) | |
---|---|
frozen core | -76.1476961 |
correlated core | -76.1667690 |
difference | -0.0190729 |
Energy (hartrees) | |
---|---|
frozen core | -76.1476961 |
correlated core | -76.1667690 |
difference | -0.0190729 |
Energy (hartrees) | |
---|---|
frozen core | -76.1476960 |
correlated core | -76.1667689 |
difference | -0.0190729 |