III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -1209.5108080 |
correlated core | -1209.5392816 |
difference | -0.0284736 |
Energy (hartrees) | |
---|---|
frozen core | -1209.5108079 |
correlated core | -1209.5392816 |
difference | -0.0284737 |
Energy (hartrees) | |
---|---|
frozen core | -1209.5108079 |
correlated core | -1209.5392816 |
difference | -0.0284737 |