III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For (perfluorobutadiene)Energy (hartrees) | |
---|---|
frozen core | -398.1825227 |
correlated core | -398.1919256 |
difference | -0.0094029 |
Energy (hartrees) | |
---|---|
frozen core | -398.1825227 |
correlated core | -398.1919256 |
difference | -0.0094029 |
Energy (hartrees) | |
---|---|
frozen core | -398.1825227 |
correlated core | -398.1919256 |
difference | -0.0094029 |
Energy (hartrees) | |
---|---|
frozen core | -398.1825227 |
correlated core | -398.1919256 |
difference | -0.0094029 |
Energy (hartrees) | |
---|---|
frozen core | -398.1825227 |
correlated core | -398.1919256 |
difference | -0.0094029 |
Energy (hartrees) | |
---|---|
frozen core | -398.1825227 |
correlated core | -398.1919256 |
difference | -0.0094029 |
Energy (hartrees) | |
---|---|
frozen core | -398.1825227 |
correlated core | -398.1919256 |
difference | -0.0094029 |
Energy (hartrees) | |
---|---|
frozen core | -398.1825227 |
correlated core | -398.1919256 |
difference | -0.0094029 |