III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For (formaldoxime)Energy (hartrees) | |
---|---|
frozen core | -75.6475453 |
correlated core | -75.6601408 |
difference | -0.0125955 |
Energy (hartrees) | |
---|---|
frozen core | -75.6475453 |
correlated core | -75.6601406 |
difference | -0.0125953 |
Energy (hartrees) | |
---|---|
frozen core | -75.6475452 |
correlated core | -75.6601408 |
difference | -0.0125957 |
Energy (hartrees) | |
---|---|
frozen core | -75.6475452 |
correlated core | -75.6601406 |
difference | -0.0125955 |