III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -56.7196389 |
correlated core | -56.7227505 |
difference | -0.0031115 |
Energy (hartrees) | |
---|---|
frozen core | -56.7196391 |
correlated core | -56.7227505 |
difference | -0.0031114 |
Energy (hartrees) | |
---|---|
frozen core | -56.7196389 |
correlated core | -56.7227507 |
difference | -0.0031117 |
Energy (hartrees) | |
---|---|
frozen core | -56.7196391 |
correlated core | -56.7227507 |
difference | -0.0031115 |