III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -290.4645489 |
correlated core | -290.5217661 |
difference | -0.0572172 |
Energy (hartrees) | |
---|---|
frozen core | -290.4645489 |
correlated core | -290.5217661 |
difference | -0.0572171 |
Energy (hartrees) | |
---|---|
frozen core | -290.4645489 |
correlated core | -290.5217661 |
difference | -0.0572172 |
Energy (hartrees) | |
---|---|
frozen core | -290.4645489 |
correlated core | -290.5217661 |
difference | -0.0572172 |