III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For (chlorosyl fluoride)Energy (hartrees) | |
---|---|
frozen core | -117.6254765 |
correlated core | -117.6809475 |
difference | -0.0554710 |
Energy (hartrees) | |
---|---|
frozen core | -117.6254765 |
correlated core | -117.6809454 |
difference | -0.0554689 |
Energy (hartrees) | |
---|---|
frozen core | -117.6254765 |
correlated core | -117.6809475 |
difference | -0.0554710 |
Energy (hartrees) | |
---|---|
frozen core | -117.6254765 |
correlated core | -117.6809475 |
difference | -0.0554710 |
Energy (hartrees) | |
---|---|
frozen core | -117.6254765 |
correlated core | -117.6809454 |
difference | -0.0554689 |
Energy (hartrees) | |
---|---|
frozen core | -117.6254765 |
correlated core | -117.6809475 |
difference | -0.0554710 |