III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -116.3826408 |
correlated core | -116.4285165 |
difference | -0.0458757 |
Energy (hartrees) | |
---|---|
frozen core | -116.3826408 |
correlated core | -116.4285165 |
difference | -0.0458758 |
Energy (hartrees) | |
---|---|
frozen core | -116.3826408 |
correlated core | -116.4285165 |
difference | -0.0458758 |