III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -77.1247512 |
correlated core | -77.1374997 |
difference | -0.0127485 |
Energy (hartrees) | |
---|---|
frozen core | -77.1247512 |
correlated core | -77.1374997 |
difference | -0.0127485 |
Energy (hartrees) | |
---|---|
frozen core | -77.1247511 |
correlated core | -77.1374997 |
difference | -0.0127485 |
Energy (hartrees) | |
---|---|
frozen core | -77.1247511 |
correlated core | -77.1374997 |
difference | -0.0127485 |