III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -139.6495190 |
correlated core | -139.6725219 |
difference | -0.0230029 |
Energy (hartrees) | |
---|---|
frozen core | -139.6495189 |
correlated core | -139.6725219 |
difference | -0.0230030 |
Energy (hartrees) | |
---|---|
frozen core | -139.6495190 |
correlated core | -139.6725215 |
difference | -0.0230025 |
Energy (hartrees) | |
---|---|
frozen core | -139.6495189 |
correlated core | -139.6725215 |
difference | -0.0230026 |