III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVQZ
For (Butane, 2,3-dichloro-, (r*,s*)-)Energy (hartrees) | |
---|---|
frozen core | -323.7438867 |
correlated core | -323.7798593 |
difference | -0.0359726 |
Energy (hartrees) | |
---|---|
frozen core | -323.7438867 |
correlated core | -323.7798593 |
difference | -0.0359726 |
Energy (hartrees) | |
---|---|
frozen core | -323.7438867 |
correlated core | -323.7798593 |
difference | -0.0359726 |
Energy (hartrees) | |
---|---|
frozen core | -323.7438867 |
correlated core | -323.7798593 |
difference | -0.0359726 |