III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pV(Q+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -398.9478949 |
correlated core | -399.0722407 |
difference | -0.1243458 |
Energy (hartrees) | |
---|---|
frozen core | -398.9478949 |
correlated core | -399.0722407 |
difference | -0.1243458 |
Energy (hartrees) | |
---|---|
frozen core | -398.9478949 |
correlated core | -399.0722407 |
difference | -0.1243458 |
Energy (hartrees) | |
---|---|
frozen core | -398.9478949 |
correlated core | -399.0722407 |
difference | -0.1243458 |