III.G.10.a. |
Energy differences between frozen core and full core for MP4/6-31G*
For PN+ (dibromomethylene)Energy (hartrees) | |
---|---|
frozen core | -74.8959730 |
correlated core | -74.8977901 |
difference | -0.0018172 |
Energy (hartrees) | |
---|---|
frozen core | -74.8959730 |
correlated core | -74.8977901 |
difference | -0.0018172 |
Energy (hartrees) | |
---|---|
frozen core | -74.8959730 |
correlated core | -74.8977901 |
difference | -0.0018172 |
Energy (hartrees) | |
---|---|
frozen core | -74.8959730 |
correlated core | -74.8977901 |
difference | -0.0018172 |