III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For (Phosgene)Energy (hartrees) | |
---|---|
frozen core | -1924.0471109 |
correlated core | -1924.1252651 |
difference | -0.0781542 |
Energy (hartrees) | |
---|---|
frozen core | -1924.0471109 |
correlated core | -1924.1252651 |
difference | -0.0781542 |
Energy (hartrees) | |
---|---|
frozen core | -1924.0471109 |
correlated core | -1924.1252651 |
difference | -0.0781542 |
Energy (hartrees) | |
---|---|
frozen core | -1924.0471109 |
correlated core | -1924.1252651 |
difference | -0.0781542 |