III.G.10.a. |
Energy differences between frozen core and full core for MP4/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -498.7309397 |
correlated core | -498.7446515 |
difference | -0.0137118 |
Energy (hartrees) | |
---|---|
frozen core | -498.7309397 |
correlated core | -498.7446515 |
difference | -0.0137118 |
Energy (hartrees) | |
---|---|
frozen core | -498.7309044 |
correlated core | -498.7446237 |
difference | -0.0137193 |