III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -116.2830794 |
correlated core | -116.2973449 |
difference | -0.0142655 |
Energy (hartrees) | |
---|---|
frozen core | -116.2830794 |
correlated core | -116.2973449 |
difference | -0.0142655 |
Energy (hartrees) | |
---|---|
frozen core | -116.2830794 |
correlated core | -116.2973446 |
difference | -0.0142652 |
Energy (hartrees) | |
---|---|
frozen core | -116.2830794 |
correlated core | -116.2973446 |
difference | -0.0142652 |