III.G.10.a. |
Energy differences between frozen core and full core for MP4/daug-cc-pVTZ
For (Phosphorus pentafluoride)Energy (hartrees) | |
---|---|
frozen core | -76.3369414 |
correlated core | -76.3524139 |
difference | -0.0154724 |
Energy (hartrees) | |
---|---|
frozen core | -76.3369413 |
correlated core | -76.3524139 |
difference | -0.0154726 |