III.G.10.a. |
Energy differences between frozen core and full core for MP4/cc-pV(D+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -398.8707963 |
correlated core | -398.9239733 |
difference | -0.0531770 |
Energy (hartrees) | |
---|---|
frozen core | -398.8707963 |
correlated core | -398.9239733 |
difference | -0.0531770 |
Energy (hartrees) | |
---|---|
frozen core | -398.8707963 |
correlated core | -398.9239733 |
difference | -0.0531769 |