III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For (Methane, trifluoro-)Energy (hartrees) | |
---|---|
frozen core | -1923.4467206 |
correlated core | -1923.5206220 |
difference | -0.0739013 |
Energy (hartrees) | |
---|---|
frozen core | -1923.4467206 |
correlated core | -1923.5206220 |
difference | -0.0739013 |
Energy (hartrees) | |
---|---|
frozen core | -1923.4467206 |
correlated core | -1923.5206220 |
difference | -0.0739013 |
Energy (hartrees) | |
---|---|
frozen core | -1923.4467206 |
correlated core | -1923.5206220 |
difference | -0.0739013 |