III.G.10.a. |
Energy differences between frozen core and full core for MP3/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -152.6546223 |
correlated core | -152.6820343 |
difference | -0.0274120 |
Energy (hartrees) | |
---|---|
frozen core | -152.6546223 |
correlated core | -152.6820343 |
difference | -0.0274120 |
Energy (hartrees) | |
---|---|
frozen core | -152.6546223 |
correlated core | -152.6820342 |
difference | -0.0274118 |
Energy (hartrees) | |
---|---|
frozen core | -152.6546223 |
correlated core | -152.6820342 |
difference | -0.0274118 |