III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVTZ
For (Allyl Fluoride)Energy (hartrees) | |
---|---|
frozen core | -1923.9870428 |
correlated core | -1924.0295492 |
difference | -0.0425064 |
Energy (hartrees) | |
---|---|
frozen core | -1923.9870428 |
correlated core | -1924.0295492 |
difference | -0.0425064 |
Energy (hartrees) | |
---|---|
frozen core | -1923.9870428 |
correlated core | -1924.0295492 |
difference | -0.0425064 |
Energy (hartrees) | |
---|---|
frozen core | -1923.9870428 |
correlated core | -1924.0295492 |
difference | -0.0425064 |