III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -139.5448444 |
correlated core | -139.5571320 |
difference | -0.0122876 |
Energy (hartrees) | |
---|---|
frozen core | -139.5448446 |
correlated core | -139.5571320 |
difference | -0.0122875 |
Energy (hartrees) | |
---|---|
frozen core | -139.5448444 |
correlated core | -139.5571322 |
difference | -0.0122878 |
Energy (hartrees) | |
---|---|
frozen core | -139.5448446 |
correlated core | -139.5571322 |
difference | -0.0122876 |