III.G.10.a. |
Energy differences between frozen core and full core for MP3/cc-pV(D+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -398.8655435 |
correlated core | -398.9184175 |
difference | -0.0528741 |
Energy (hartrees) | |
---|---|
frozen core | -398.8655435 |
correlated core | -398.9184175 |
difference | -0.0528741 |
Energy (hartrees) | |
---|---|
frozen core | -398.8655435 |
correlated core | -398.9184175 |
difference | -0.0528741 |