III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -114.1065852 |
correlated core | -114.1134092 |
difference | -0.0068240 |
Energy (hartrees) | |
---|---|
frozen core | -114.1065852 |
correlated core | -114.1134092 |
difference | -0.0068240 |
Energy (hartrees) | |
---|---|
frozen core | -114.1032768 |
correlated core | -114.1101345 |
difference | -0.0068577 |