III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pV(T+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -291.4066158 |
correlated core | -291.5160509 |
difference | -0.1094350 |
Energy (hartrees) | |
---|---|
frozen core | -291.4066158 |
correlated core | -291.5160509 |
difference | -0.1094351 |
Energy (hartrees) | |
---|---|
frozen core | -291.4066158 |
correlated core | -291.5160504 |
difference | -0.1094346 |
Energy (hartrees) | |
---|---|
frozen core | -291.4066158 |
correlated core | -291.5160504 |
difference | -0.1094346 |