III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -129.2501753 |
correlated core | -129.2553710 |
difference | -0.0051957 |
Energy (hartrees) | |
---|---|
frozen core | -129.2501753 |
correlated core | -129.2553708 |
difference | -0.0051955 |
Energy (hartrees) | |
---|---|
frozen core | -129.2501753 |
correlated core | -129.2553710 |
difference | -0.0051957 |
Energy (hartrees) | |
---|---|
frozen core | -129.2501753 |
correlated core | -129.2553708 |
difference | -0.0051955 |