III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -398.8134459 |
correlated core | -398.8231229 |
difference | -0.0096770 |
Energy (hartrees) | |
---|---|
frozen core | -398.8134459 |
correlated core | -398.8231229 |
difference | -0.0096770 |
Energy (hartrees) | |
---|---|
frozen core | -398.8134459 |
correlated core | -398.8231229 |
difference | -0.0096770 |
Energy (hartrees) | |
---|---|
frozen core | -398.8134459 |
correlated core | -398.8231229 |
difference | -0.0096770 |