III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -243.7339662 |
correlated core | -243.7391292 |
difference | -0.0051630 |
Energy (hartrees) | |
---|---|
frozen core | -243.7339661 |
correlated core | -243.7391292 |
difference | -0.0051631 |
Energy (hartrees) | |
---|---|
frozen core | -243.7339662 |
correlated core | -243.7391291 |
difference | -0.0051629 |
Energy (hartrees) | |
---|---|
frozen core | -243.7339661 |
correlated core | -243.7391291 |
difference | -0.0051630 |