III.G.10.a. |
Energy differences between frozen core and full core for MP4/cc-pV(Q+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -398.9564323 |
correlated core | -399.0826797 |
difference | -0.1262474 |
Energy (hartrees) | |
---|---|
frozen core | -398.9564323 |
correlated core | -399.0826797 |
difference | -0.1262474 |
Energy (hartrees) | |
---|---|
frozen core | -398.9564323 |
correlated core | -399.0826797 |
difference | -0.1262474 |
Energy (hartrees) | |
---|---|
frozen core | -398.9564323 |
correlated core | -399.0826797 |
difference | -0.1262474 |