III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For (1-hydroxy-ethyl radical)Energy (hartrees) | |
---|---|
frozen core | -1923.3641355 |
correlated core | -1923.4092543 |
difference | -0.0451188 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3641355 |
correlated core | -1923.4092543 |
difference | -0.0451188 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3641355 |
correlated core | -1923.4092543 |
difference | -0.0451188 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3641355 |
correlated core | -1923.4092543 |
difference | -0.0451188 |