III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -26.5141680 |
correlated core | -26.5584460 |
difference | -0.0442780 |
Energy (hartrees) | |
---|---|
frozen core | -26.5141680 |
correlated core | -26.5584460 |
difference | -0.0442780 |
Energy (hartrees) | |
---|---|
frozen core | -26.5141680 |
correlated core | -26.5584460 |
difference | -0.0442780 |
Energy (hartrees) | |
---|---|
frozen core | -26.5141680 |
correlated core | -26.5584460 |
difference | -0.0442780 |