III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVQZ
For (Allyl Fluoride)Energy (hartrees) | |
---|---|
frozen core | -1923.4493404 |
correlated core | -1923.5125474 |
difference | -0.0632070 |
Energy (hartrees) | |
---|---|
frozen core | -1923.4493404 |
correlated core | -1923.5125474 |
difference | -0.0632070 |
Energy (hartrees) | |
---|---|
frozen core | -1923.4493404 |
correlated core | -1923.5125474 |
difference | -0.0632070 |
Energy (hartrees) | |
---|---|
frozen core | -1923.4493404 |
correlated core | -1923.5125474 |
difference | -0.0632070 |